A0A087XXS2_POEFO Loading...

Nucleolar protein 16

AlphaFold DB , UniProt , Accession A0A087XXS2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 177 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.1Very low55.7Low231 Ų231182.4 Ų182.4100%1.13886%0.858SS**  0120.70-60.3-167.6106.700109.1K3M1-K3 PolarHBondContact O-N 2.9Å
2P44.9Very low57Low132 Ų132184 Ų18486%0.85785%0.85SS**  trans-74.1116.7176.821.6-13.3000108.3T4P2-T4 PolarHBondContact O-N 3.34Å
3K53.3Low58.4Low204 Ų204177.8 Ų177.889%0.88782%0.819SS**  trans-59.7123.8175-66.2-170.5178.1-177.40108.4M1 K5M1-K3 PolarHBondContact O-N 2.9Å; K3-K5 PolarHBondContact O-N 3.31Å
4T57.5Low59.9Low136 Ų136170.7 Ų170.783%0.83479%0.791SS**  trans-56.1101.9175-25.70000107.9P2 Q6P2-T4 PolarHBondContact O-N 3.34Å; T4-Q6 VanDerWaalsContact C-N 3.26Å; T4-Q6 PolarHBondContact O-N 2.98Å
5K55.2Low61.5Low201 Ų201172.7 Ų172.787%0.87479%0.79SS**  trans-64.494.1176.1-127.7177.7-174.5175.50105.4K3 S7K3-K5 PolarHBondContact O-N 3.31Å; K5-S7 PolarHBondContact O-N 2.76Å
6Q58.3Low63Low181 Ų181171.7 Ų171.785%0.84679%0.793SS**  trans-60100.5167-73.6-155.6-2.200105.7T4 K8T4-Q6 VanDerWaalsContact C-N 3.26Å; T4-Q6 PolarHBondContact O-N 2.98Å; Q6-K8 VanDerWaalsContact C-N 3.27Å; Q6-K8 PolarHBondContact O-N 3.41Å
7S59Low64.3Low88 Ų88164.4 Ų164.462%0.61576%0.764SS**  trans-57.799.2173.9151.90000106K5 R9K5-S7 PolarHBondContact O-N 2.76Å; S7-R9 PolarHBondContact O-N 3.01Å; S7-R9 WeakPolarHBondContact OG-CG 3.47Å; S7-R9 PolarHBondContact OG-N 2.87Å
8K57.1Low65.7Low202 Ų202159.3 Ų159.388%0.87874%0.743SS**  trans-62.572.6159.2-71.7-177.1178.3-179.70106.6Q6 R10Q6-K8 VanDerWaalsContact C-N 3.27Å; Q6-K8 PolarHBondContact O-N 3.41Å; K8-R10 PolarHBondContact O-N 2.97Å
9R59.7Low66.8Low220 Ų220158.8 Ų158.883%0.8373%0.734SS**  trans-63.392.8163.7-103.7176.4173.4-177-2103.8S7 K11S7-R9 PolarHBondContact O-N 3.01Å; S7-R9 WeakPolarHBondContact OG-CG 3.47Å; S7-R9 PolarHBondContact OG-N 2.87Å; R9-K11 PolarHBondContact O-N 3.17Å
10R57.2Low68Low198 Ų198159.2 Ų159.275%0.74773%0.733SS**  trans-43.8120161.8-82173.8139.5169.8-9.6104.7K8 R12K8-R10 PolarHBondContact O-N 2.97Å; R10-R12 HydrophobicContact CB-CG 4.19Å; R10-R12 PolarHBondContact O-N 3.1Å
11K64Low69.2Low213 Ų213158 Ų15893%0.92673%0.726SS**  trans-64.573.3174.2-66.5-174.8-179.5178.70107.6R9R9-K11 PolarHBondContact O-N 3.17Å
12R71.3Confident71.3Confident202 Ų202151.3 Ų151.376%0.76269%0.694SS**  trans-69.1130.5174.4-69.7-171.9175.3-172.1-1.4106.5R10 D14R10-R12 HydrophobicContact CB-CG 4.19Å; R10-R12 PolarHBondContact O-N 3.1Å; R12-D14 PolarHBondContact O-N 2.93Å
13F75.1Confident73.5Confident104 Ų104151.8 Ų151.846%0.45668%0.683SS.*  trans-68.7124.2174.4-176.9-94.9000108.1Y15 R19F13-Y15 AromaticContact CD1-CD1 3.82Å; F13-Y15 HydrophobicContact CD1-CD1 3.82Å; F13-Y15 HydrophobicContact CD1-CD2 4.47Å; F13-Y15 AromaticContact CD1-CE1 3.9Å; F13-Y15 HydrophobicContact CD1-CE1 3.9Å; F13-Y15 HydrophobicContact CD1-CG 4.13Å; F13-Y15 AromaticContact CE1-CD1 3.97Å; F13-Y15 HydrophobicContact CE1-CD1 3.97Å; F13-Y15 HydrophobicContact CE1-CE1 4.31Å; F13-Y15 HydrophobicContact CE1-CG 4.45Å; F13-Y15 PolarHBondContact O-N 3.4Å; F13-R19 HydrophobicContact CE2-CG 4.37Å
14D80.4Confident75.3Confident78 Ų78148.9 Ų148.942%0.41767%0.67SS.*  trans-85.8106.5175.8-178.8-5.9000108.9R12 N16 T17R12-D14 PolarHBondContact O-N 2.93Å; D14-N16 PolarHBondContact O-N 3.16Å; D14-N16 WeakPolarHBondContact OD1-CB 3.38Å; D14-N16 PolarHBondContact OD1-N 3.29Å; D14-T17 HydrophobicContact CB-CG2 4.31Å; D14-T17 PolarHBondContact O-N 2.91Å; D14-T17 VanDerWaalsContact O-N 3.11Å; D14-T17 PolarHBondContact O-OG1 3.18Å; D14-T17 WeakPolarHBondContact OD2-CG2 3.48Å
15Y83.4Confident76.8Confident201 Ų201148.8 Ų148.879%0.78866%0.658SS**THydrogen-bonded Turntrans-65.7-18.6-178.8-65.4-83.7000113.5F13 T17F13-Y15 AromaticContact CD1-CD1 3.82Å; F13-Y15 HydrophobicContact CD1-CD1 3.82Å; F13-Y15 HydrophobicContact CD1-CD2 4.47Å; F13-Y15 AromaticContact CD1-CE1 3.9Å; F13-Y15 HydrophobicContact CD1-CE1 3.9Å; F13-Y15 HydrophobicContact CD1-CG 4.13Å; F13-Y15 AromaticContact CE1-CD1 3.97Å; F13-Y15 HydrophobicContact CE1-CD1 3.97Å; F13-Y15 HydrophobicContact CE1-CE1 4.31Å; F13-Y15 HydrophobicContact CE1-CG 4.45Å; F13-Y15 PolarHBondContact O-N 3.4Å; Y15-T17 VanDerWaalsContact C-N 3.26Å; Y15-T17 PolarHBondContact O-N 3.03Å
16N85.8Confident78.3Confident156 Ų156146 Ų14683%0.83465%0.647SS**THydrogen-bonded Turntrans-81.6-9.3176.3-63.3-37.1000112.4D14D14-N16 PolarHBondContact O-N 3.16Å; D14-N16 WeakPolarHBondContact OD1-CB 3.38Å; D14-N16 PolarHBondContact OD1-N 3.29Å
17T85.2Confident79.6Confident48 Ų48141.9 Ų141.929%0.29463%0.63SS.*  trans-109111.4-178.763.80000111.9D14 Y15 R19D14-T17 HydrophobicContact CB-CG2 4.31Å; D14-T17 PolarHBondContact O-N 2.91Å; D14-T17 VanDerWaalsContact O-N 3.11Å; D14-T17 PolarHBondContact O-OG1 3.18Å; D14-T17 WeakPolarHBondContact OD2-CG2 3.48Å; Y15-T17 VanDerWaalsContact C-N 3.26Å; Y15-T17 PolarHBondContact O-N 3.03Å; T17-R19 PolarHBondContact O-N 3.34Å; T17-R19 VanDerWaalsContact O-N 3.15Å
18D89.4Confident81Confident72 Ų72145.4 Ų145.439%0.38563%0.634SS.*  trans-78.9101.5169.8-177-15.8000110.1K20 K21 L22D18-K20 PolarHBondContact O-N 3.26Å; D18-K20 WeakPolarHBondContact OD1-CA 3.43Å; D18-K20 VanDerWaalsContact OD1-CB 3.32Å; D18-K20 WeakPolarHBondContact OD1-CB 3.45Å; D18-K20 PolarHBondContact OD1-N 3.21Å; D18-K21 HydrophobicContact CB-CB 4.03Å; D18-K21 HydrophobicContact CB-CD 3.91Å; D18-K21 HydrophobicContact CB-CG 4.09Å; D18-K21 PolarHBondContact O-N 2.74Å; D18-K21 VanDerWaalsContact O-N 3.12Å; D18-K21 PolarHBondContact OD1-N 2.95Å; D18-K21 VanDerWaalsContact OD2-CD 3.28Å; D18-K21 WeakPolarHBondContact OD2-CD 3.49Å; D18-K21 WeakPolarHBondContact OD2-CE 3.24Å; D18-K21 VanDerWaalsContact OD2-CG 3.25Å; D18-K21 WeakPolarHBondContact OD2-CG 3.37Å; D18-K21 IonicContact OD2-NZ 2.74Å; D18-L22 PolarHBondContact O-N 2.91Å
19R86.4Confident82.3Confident151 Ų151143.1 Ų143.157%0.5762%0.624SS**Hα-helixtrans-59.1-31.4178.4-63.6-171.9-178.6-156.2-0.5113.2F13 T17 L22 K23F13-R19 HydrophobicContact CE2-CG 4.37Å; T17-R19 PolarHBondContact O-N 3.34Å; T17-R19 VanDerWaalsContact O-N 3.15Å; R19-L22 PolarHBondContact O-N 3.22Å; R19-K23 WeakPolarHBondContact O-CB 3.43Å; R19-K23 PolarHBondContact O-N 3.34Å
20K91.1Very high83.5Confident165 Ų165133.6 Ų133.672%0.71759%0.592SS**Hα-helixtrans-68.2-42.7176.9-64-179.7178.91770109.9D18 K23 K24D18-K20 PolarHBondContact O-N 3.26Å; D18-K20 WeakPolarHBondContact OD1-CA 3.43Å; D18-K20 VanDerWaalsContact OD1-CB 3.32Å; D18-K20 WeakPolarHBondContact OD1-CB 3.45Å; D18-K20 PolarHBondContact OD1-N 3.21Å; K20-K23 PolarHBondContact O-N 2.84Å; K20-K24 WeakPolarHBondContact O-CG 3.08Å; K20-K24 PolarHBondContact O-N 3.45Å
21K92.3Very high84.9Confident134 Ų134127.8 Ų127.858%0.58358%0.576SS**Hα-helixtrans-64.3-41.6173.8-73.2176-168.8173.50111.8D18 K24 K25D18-K21 HydrophobicContact CB-CB 4.03Å; D18-K21 HydrophobicContact CB-CD 3.91Å; D18-K21 HydrophobicContact CB-CG 4.09Å; D18-K21 PolarHBondContact O-N 2.74Å; D18-K21 VanDerWaalsContact O-N 3.12Å; D18-K21 PolarHBondContact OD1-N 2.95Å; D18-K21 VanDerWaalsContact OD2-CD 3.28Å; D18-K21 WeakPolarHBondContact OD2-CD 3.49Å; D18-K21 WeakPolarHBondContact OD2-CE 3.24Å; D18-K21 VanDerWaalsContact OD2-CG 3.25Å; D18-K21 WeakPolarHBondContact OD2-CG 3.37Å; D18-K21 IonicContact OD2-NZ 2.74Å; K21-K24 PolarHBondContact O-N 3.25Å; K21-K25 WeakPolarHBondContact O-CG 3.43Å; K21-K25 PolarHBondContact O-N 3.04Å
22L90.6Very high86Confident91 Ų91119.7 Ų119.748%0.47655%0.545SS..Hα-helixtrans-62.2-44.1175.7-69.2177.5000112D18 R19 K24 K25 F26D18-L22 PolarHBondContact O-N 2.91Å; R19-L22 PolarHBondContact O-N 3.22Å; L22-K24 PolarHBondContact O-N 3.08Å; L22-K25 PolarHBondContact O-N 3.29Å; L22-F26 WeakPolarHBondContact O-CB 3.25Å; L22-F26 PolarHBondContact O-N 3.06Å
23K90.3Very high87Confident143 Ų143120.6 Ų120.662%0.62255%0.549SS*.Hα-helixtrans-59.4-46.5174.1-174.8177.9180-179.40111.2R19 K20 K25 F26 L27R19-K23 WeakPolarHBondContact O-CB 3.43Å; R19-K23 PolarHBondContact O-N 3.34Å; K20-K23 PolarHBondContact O-N 2.84Å; K23-K25 VanDerWaalsContact C-N 3.35Å; K23-K25 PolarHBondContact O-N 3.39Å; K23-F26 PolarHBondContact O-N 3.08Å; K23-L27 HydrophobicContact CG-CD1 4.09Å; K23-L27 HydrophobicContact CG-CG 4.41Å; K23-L27 VanDerWaalsContact O-CG 3.31Å; K23-L27 WeakPolarHBondContact O-CG 3.32Å; K23-L27 PolarHBondContact O-N 3.03Å
24K91Very high87.8Confident142 Ų142117.1 Ų117.162%0.61753%0.534SS*.Hα-helixtrans-59-43.9175.4-72.9178.9-179.1-1740111.9K20 K21 L22 L27 K28K20-K24 WeakPolarHBondContact O-CG 3.08Å; K20-K24 PolarHBondContact O-N 3.45Å; K21-K24 PolarHBondContact O-N 3.25Å; L22-K24 PolarHBondContact O-N 3.08Å; K24-L27 PolarHBondContact O-N 2.91Å; K24-K28 WeakPolarHBondContact O-CB 3.5Å; K24-K28 WeakPolarHBondContact O-CG 3.39Å; K24-K28 PolarHBondContact O-N 2.9Å
25K89.5Confident88.4Confident134 Ų134120.2 Ų120.258%0.58355%0.546SS*.Hα-helixtrans-61-43.7175.4-74.1-180179.2-1740111.5K21 L22 K23 K28 K29K21-K25 WeakPolarHBondContact O-CG 3.43Å; K21-K25 PolarHBondContact O-N 3.04Å; L22-K25 PolarHBondContact O-N 3.29Å; K23-K25 VanDerWaalsContact C-N 3.35Å; K23-K25 PolarHBondContact O-N 3.39Å; K25-K28 PolarHBondContact O-N 2.96Å; K25-K29 WeakPolarHBondContact O-CG 3.33Å; K25-K29 PolarHBondContact O-N 2.6Å
26F87.1Confident88.9Confident144 Ų144113.9 Ų113.963%0.63252%0.524SS*.Hα-helixtrans-64-46.1177.5-177.7-96.1000112L22 K23 K28 K29 A30L22-F26 WeakPolarHBondContact O-CB 3.25Å; L22-F26 PolarHBondContact O-N 3.06Å; K23-F26 PolarHBondContact O-N 3.08Å; F26-K28 PolarHBondContact O-N 2.97Å; F26-K29 WeakPolarHBondContact O-CB 3.41Å; F26-K29 PolarHBondContact O-N 3.42Å; F26-K29 VanDerWaalsContact O-N 3.11Å; F26-A30 PolarHBondContact O-N 3.5Å
27L86.6Confident89.3Confident94 Ų94108.8 Ų108.849%0.49250%0.503SS..Hα-helixtrans-61-43.1177.1-69.7172.4000111.9K23 K24 K29 A30 N31K23-L27 HydrophobicContact CG-CD1 4.09Å; K23-L27 HydrophobicContact CG-CG 4.41Å; K23-L27 VanDerWaalsContact O-CG 3.31Å; K23-L27 WeakPolarHBondContact O-CG 3.32Å; K23-L27 PolarHBondContact O-N 3.03Å; K24-L27 PolarHBondContact O-N 2.91Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 3.03Å; L27-A30 PolarHBondContact O-N 3.38Å; L27-N31 PolarHBondContact O-N 3.08Å
28K86.6Confident89.6Confident162 Ų162108.2 Ų108.270%0.70450%0.497SS*.Hα-helixtrans-62.8-33.3174.7-73.9-176.7177.3-164.50113K24 K25 F26 N31K24-K28 WeakPolarHBondContact O-CB 3.5Å; K24-K28 WeakPolarHBondContact O-CG 3.39Å; K24-K28 PolarHBondContact O-N 2.9Å; K25-K28 PolarHBondContact O-N 2.96Å; F26-K28 PolarHBondContact O-N 2.97Å; K28-N31 CarbonylContact O-C 3.3Å
29K84.7Confident89.8Confident153 Ų153106.1 Ų106.167%0.66549%0.486SS*.Hα-helixtrans-72.6-35.4175.4-75.6-177.5178.8-167.10112.3K25 F26 L27 M49K25-K29 WeakPolarHBondContact O-CG 3.33Å; K25-K29 PolarHBondContact O-N 2.6Å; F26-K29 WeakPolarHBondContact O-CB 3.41Å; F26-K29 PolarHBondContact O-N 3.42Å; F26-K29 VanDerWaalsContact O-N 3.11Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 3.03Å; K29-M49 WeakPolarHBondContact O-CE 3.49Å; K29-M49 WeakPolarHBondContact O-CG 3.2Å
30A84.9Confident90.2Very high20 Ų20105.9 Ų105.917%0.16549%0.485CS..Hα-helixtrans-81.3-29.3-179.900000112.8F26 L27 W43F26-A30 PolarHBondContact O-N 3.5Å; L27-A30 PolarHBondContact O-N 3.38Å; A30-W43 WeakPolarHBondContact O-CZ2 2.87Å; A30-W43 PolarHBondContact O-NE1 3.38Å
31N87.4Confident90.2Very high76 Ų76104.1 Ų104.141%0.40648%0.484SS..SBendtrans-128.581.2-179.9-170.29.7000110.2L27 K28 N45L27-N31 PolarHBondContact O-N 3.08Å; K28-N31 CarbonylContact O-C 3.3Å; N31-N45 PolarHBondContact ND2-OD1 3.22Å; N31-N45 PolarHBondContact OD1-OD1 3.06Å
32P87.6Confident90.3Very high43 Ų4398 Ų9828%0.27946%0.458SS..  trans-72.6160.9175.633.7-36.9000110.5I34 W43 M49P32-I34 HydrophobicContact CG-CD1 4.43Å; P32-I34 HydrophobicContact CG-CG1 4.09Å; P32-I34 PolarHBondContact O-N 3.47Å; P32-W43 HydrophobicContact CG-CZ2 4.27Å; P32-M49 HydrophobicContact CB-SD 4.38Å; P32-M49 WeakPolarHBondContact CD-SD 3.39Å; P32-M49 HydrophobicContact CG-CE 4.45Å; P32-M49 HydrophobicContact CG-SD 3.47Å; P32-M49 WeakPolarHBondContact CG-SD 3.39Å
33R90.9Very high90.4Very high221 Ų22195 Ų9583%0.83444%0.44SS*.  trans-73113.8168.2-179.1176.3170.1145.13.2108.4E35R33-E35 IonicContact CZ-OE1 2.89Å; R33-E35 IonicContact NE-OE1 3.14Å; R33-E35 PolarHBondContact NE-OE1 3.3Å; R33-E35 IonicContact NH2-OE1 3.08Å
34I92.4Very high90.6Very high31 Ų3190.4 Ų90.416%0.15942%0.422CS..  trans-103.3120-179.5-58.5170.6000108.1P32 I39 R40 W43P32-I34 HydrophobicContact CG-CD1 4.43Å; P32-I34 HydrophobicContact CG-CG1 4.09Å; P32-I34 PolarHBondContact O-N 3.47Å; I34-I39 HydrophobicContact CD1-CG2 4.18Å; I34-I39 HydrophobicContact CG2-CB 3.96Å; I34-I39 HydrophobicContact CG2-CG2 3.92Å; I34-R40 HydrophobicContact CB-CB 4.16Å; I34-R40 HydrophobicContact CG2-CB 4.11Å; I34-W43 HydrophobicContact CD1-CB 4.18Å; I34-W43 HydrophobicContact CD1-CD2 3.48Å; I34-W43 VanDerWaalsContact CD1-CD2 3.48Å; I34-W43 HydrophobicContact CD1-CE3 3.4Å; I34-W43 VanDerWaalsContact CD1-CE3 3.4Å; I34-W43 HydrophobicContact CD1-CG 3.84Å; I34-W43 HydrophobicContact CD1-CH2 4.49Å; I34-W43 HydrophobicContact CD1-CZ3 3.94Å
35E93.2Very high90.5Very high143 Ų14388.3 Ų88.367%0.66842%0.418SS*.  trans-76.6-38.3180-61.6-58.7141.700111.7R33 A37R33-E35 IonicContact CZ-OE1 2.89Å; R33-E35 IonicContact NE-OE1 3.14Å; R33-E35 PolarHBondContact NE-OE1 3.3Å; R33-E35 IonicContact NH2-OE1 3.08Å; E35-A37 PolarHBondContact O-N 2.85Å
36H93.7Very high90.6Very high69 Ų6989.3 Ų89.332%0.31943%0.429SS..  trans-70.5120-178.7-159.7-99000112.1Q38 I39 R40 L96 E99H36-Q38 VanDerWaalsContact C-N 3.32Å; H36-Q38 PolarHBondContact ND1-N 2.95Å; H36-Q38 PolarHBondContact O-N 3.08Å; H36-I39 HydrophobicContact CB-CB 4.48Å; H36-I39 HydrophobicContact CB-CD1 4.24Å; H36-I39 HydrophobicContact CB-CG1 4.39Å; H36-I39 PolarHBondContact O-N 2.96Å; H36-R40 WeakPolarHBondContact O-CB 3.48Å; H36-R40 PolarHBondContact O-N 3.2Å; H36-L96 WeakPolarHBondContact CE1-CD2 3.41Å; H36-E99 IonicContact CE1-OE2 3.59Å; H36-E99 PolarHBondContact CE1-OE2 3.48Å; H36-E99 IonicContact NE2-OE2 3.81Å; H36-E99 PolarHBondContact NE2-OE2 2.94Å; H36-E99 VanDerWaalsContact NE2-OE2 3.08Å
37A93.6Very high90.7Very high48 Ų4885.2 Ų85.240%0.39741%0.412SS..Hα-helixtrans-59.7-40.8-173.900000112.8E35 R40 N41E35-A37 PolarHBondContact O-N 2.85Å; A37-R40 PolarHBondContact O-N 3.34Å; A37-N41 WeakPolarHBondContact O-CB 3.47Å; A37-N41 PolarHBondContact O-N 3.31Å; A37-N41 PolarHBondContact O-ND2 3.49Å; A37-N41 PolarHBondContact O-OD1 3.47Å
38Q92.3Very high90.9Very high36 Ų3684 Ų8417%0.16841%0.41CS..Hα-helixtrans-67.1-42-175.8-55.3-165.6-4.800113H36 A42 E99H36-Q38 VanDerWaalsContact C-N 3.32Å; H36-Q38 PolarHBondContact ND1-N 2.95Å; H36-Q38 PolarHBondContact O-N 3.08Å; Q38-A42 PolarHBondContact O-N 3.02Å; Q38-E99 PolarHBondContact NE2-OE1 3.33Å
39I93.4Very high91Very high29 Ų2978.9 Ų78.915%0.14939%0.39CS..Hα-helixtrans-69.6-42.5178.1-60.8176.8000109.1I34 H36 N41 A42 W43 M56 L58 I92 L96I34-I39 HydrophobicContact CD1-CG2 4.18Å; I34-I39 HydrophobicContact CG2-CB 3.96Å; I34-I39 HydrophobicContact CG2-CG2 3.92Å; H36-I39 HydrophobicContact CB-CB 4.48Å; H36-I39 HydrophobicContact CB-CD1 4.24Å; H36-I39 HydrophobicContact CB-CG1 4.39Å; H36-I39 PolarHBondContact O-N 2.96Å; I39-N41 PolarHBondContact O-N 3.33Å; I39-A42 PolarHBondContact O-N 3.15Å; I39-W43 HydrophobicContact CG2-CE3 4.35Å; I39-W43 PolarHBondContact O-N 2.82Å; I39-W43 VanDerWaalsContact O-N 3.09Å; I39-M56 HydrophobicContact CG2-CE 4.39Å; I39-M56 HydrophobicContact CG2-SD 3.88Å; I39-L58 HydrophobicContact CD1-CD1 3.99Å; I39-L58 HydrophobicContact CG1-CD1 4.43Å; I39-I92 HydrophobicContact CG1-CG2 4.39Å; I39-L96 HydrophobicContact CD1-CD1 4.29Å; I39-L96 HydrophobicContact CG1-CD1 4.4Å
40R94.1Very high91.3Very high146 Ų14673.2 Ų73.255%0.55137%0.372SS*.Hα-helixtrans-59.1-45.3177.8-174.7-179.964.7160.9-2.4112I34 H36 A37 A42 W43I34-R40 HydrophobicContact CB-CB 4.16Å; I34-R40 HydrophobicContact CG2-CB 4.11Å; H36-R40 WeakPolarHBondContact O-CB 3.48Å; H36-R40 PolarHBondContact O-N 3.2Å; A37-R40 PolarHBondContact O-N 3.34Å; R40-A42 VanDerWaalsContact C-N 3.26Å; R40-A42 PolarHBondContact O-N 2.97Å; R40-W43 WeakPolarHBondContact O-CB 3.44Å; R40-W43 PolarHBondContact O-N 2.84Å
41N92.8Very high91.6Very high128 Ų12878.9 Ų78.968%0.68439%0.389SS*.Hα-helixtrans-66.5-30.6-179.8-67.9-8.4000112.4A37 I39A37-N41 WeakPolarHBondContact O-CB 3.47Å; A37-N41 PolarHBondContact O-N 3.31Å; A37-N41 PolarHBondContact O-ND2 3.49Å; A37-N41 PolarHBondContact O-OD1 3.47Å; I39-N41 PolarHBondContact O-N 3.33Å
42A93.7Very high91.9Very high5 Ų575.3 Ų75.34%0.04137%0.369CS..Hα-helixtrans-86.8-5.7178.600000113.9Q38 I39 R40 M56 K89 Y91 I92Q38-A42 PolarHBondContact O-N 3.02Å; I39-A42 PolarHBondContact O-N 3.15Å; R40-A42 VanDerWaalsContact C-N 3.26Å; R40-A42 PolarHBondContact O-N 2.97Å; A42-M56 HydrophobicContact CB-CE 3.53Å; A42-M56 HydrophobicContact CB-SD 4.17Å; A42-M56 VanDerWaalsContact O-CE 3.27Å; A42-M56 WeakPolarHBondContact O-CE 3.34Å; A42-K89 HydrophobicContact CB-CD 4.32Å; A42-K89 PolarHBondContact O-NZ 3.29Å; A42-Y91 WeakPolarHBondContact CB-OH 3.47Å; A42-I92 HydrophobicContact CB-CD1 3.22Å; A42-I92 HydrophobicContact CB-CG1 4.13Å
43W93.7Very high92.1Very high29 Ų2974.7 Ų74.711%0.1136%0.364CS..  trans-74.7130.5-173.8-164.6-95.6000112.1A30 P32 I34 I39 R40 M49 N52 L53 M56A30-W43 WeakPolarHBondContact O-CZ2 2.87Å; A30-W43 PolarHBondContact O-NE1 3.38Å; P32-W43 HydrophobicContact CG-CZ2 4.27Å; I34-W43 HydrophobicContact CD1-CB 4.18Å; I34-W43 HydrophobicContact CD1-CD2 3.48Å; I34-W43 VanDerWaalsContact CD1-CD2 3.48Å; I34-W43 HydrophobicContact CD1-CE3 3.4Å; I34-W43 VanDerWaalsContact CD1-CE3 3.4Å; I34-W43 HydrophobicContact CD1-CG 3.84Å; I34-W43 HydrophobicContact CD1-CH2 4.49Å; I34-W43 HydrophobicContact CD1-CZ3 3.94Å; I39-W43 HydrophobicContact CG2-CE3 4.35Å; I39-W43 PolarHBondContact O-N 2.82Å; I39-W43 VanDerWaalsContact O-N 3.09Å; R40-W43 WeakPolarHBondContact O-CB 3.44Å; R40-W43 PolarHBondContact O-N 2.84Å; W43-M49 HydrophobicContact CH2-CB 4.06Å; W43-M49 HydrophobicContact CH2-CG 4.1Å; W43-M49 HydrophobicContact CH2-SD 3.76Å; W43-M49 HydrophobicContact CZ2-CB 4.23Å; W43-M49 HydrophobicContact CZ2-CG 3.86Å; W43-M49 HydrophobicContact CZ2-SD 3.7Å; W43-N52 HydrophobicContact CD2-CB 4.1Å; W43-N52 VanDerWaalsContact CE2-ND2 3.33Å; W43-N52 HydrophobicContact CE3-CB 3.77Å; W43-N52 HydrophobicContact CH2-CB 3.86Å; W43-N52 HydrophobicContact CZ2-CB 4.15Å; W43-N52 HydrophobicContact CZ3-CB 3.65Å; W43-L53 HydrophobicContact CH2-CG 4.49Å; W43-L53 HydrophobicContact CZ3-CD2 4Å; W43-L53 HydrophobicContact CZ3-CG 4.2Å; W43-M56 HydrophobicContact CB-CE 4.49Å; W43-M56 HydrophobicContact CE3-CE 3.97Å
44D92.9Very high92.1Very high45 Ų4568.1 Ų68.124%0.24134%0.343CS..  trans-105.7116.4174.9-175.5-8.7000110.7N46 K47 N52D44-N46 PolarHBondContact O-N 3.19Å; D44-N46 WeakPolarHBondContact OD1-CB 3.4Å; D44-N46 PolarHBondContact OD1-N 3.49Å; D44-K47 HydrophobicContact CB-CB 4.36Å; D44-K47 HydrophobicContact CB-CD 4.05Å; D44-K47 HydrophobicContact CB-CG 4.15Å; D44-K47 PolarHBondContact O-N 3.46Å; D44-K47 WeakPolarHBondContact OD2-CE 3.27Å; D44-N52 WeakPolarHBondContact CB-OD1 3.19Å; D44-N52 PolarHBondContact N-OD1 3.15Å; D44-N52 PolarHBondContact O-ND2 2.96Å
45N90.2Very high92.1Very high99 Ų9967 Ų6753%0.52934%0.337SS..THydrogen-bonded Turntrans-67-16.5-178.3-64.7-28.4000113.8N31N31-N45 PolarHBondContact ND2-OD1 3.22Å; N31-N45 PolarHBondContact OD1-OD1 3.06Å
46N90.3Very high92.1Very high154 Ų15460.2 Ų60.282%0.82431%0.305SS*.THydrogen-bonded Turntrans-85.8-14178.6-63.3-36.8000112.6D44D44-N46 PolarHBondContact O-N 3.19Å; D44-N46 WeakPolarHBondContact OD1-CB 3.4Å; D44-N46 PolarHBondContact OD1-N 3.49Å
47K90.6Very high92Very high59 Ų5958.3 Ų58.326%0.25730%0.304SS..SBendtrans-100157.5-178.1-65.1-178.4-173.1-178.20111.2D44 R51 E55D44-K47 HydrophobicContact CB-CB 4.36Å; D44-K47 HydrophobicContact CB-CD 4.05Å; D44-K47 HydrophobicContact CB-CG 4.15Å; D44-K47 PolarHBondContact O-N 3.46Å; D44-K47 WeakPolarHBondContact OD2-CE 3.27Å; K47-R51 HydrophobicContact CD-CG 4.31Å; K47-E55 WeakPolarHBondContact CD-OE1 3.31Å; K47-E55 WeakPolarHBondContact CE-OE1 3.44Å; K47-E55 IonicContact NZ-OE1 2.72Å; K47-E55 PolarHBondContact NZ-OE1 2.93Å; K47-E55 IonicContact NZ-OE2 2.67Å; K47-E55 PolarHBondContact NZ-OE2 2.93Å
48S89.9Confident91.8Very high67 Ų6758.3 Ų58.347%0.46930%0.297SS..  trans-69.9154.4171.770.80000110.4A50 R51 N52S48-A50 VanDerWaalsContact C-N 3.27Å; S48-A50 PolarHBondContact O-N 2.9Å; S48-R51 PolarHBondContact O-N 3.28Å; S48-R51 VanDerWaalsContact O-N 3.12Å; S48-R51 WeakPolarHBondContact OG-CB 3.39Å; S48-R51 PolarHBondContact OG-N 3.16Å; S48-N52 PolarHBondContact O-N 3.42Å
49M89.8Confident91.7Very high55 Ų5559.3 Ų59.327%0.27131%0.308SS..Hα-helixtrans-52.4-46.2175.4-65.7-118.9-72.500112.8K29 P32 W43 R51 N52 L53 F60K29-M49 WeakPolarHBondContact O-CE 3.49Å; K29-M49 WeakPolarHBondContact O-CG 3.2Å; P32-M49 HydrophobicContact CB-SD 4.38Å; P32-M49 WeakPolarHBondContact CD-SD 3.39Å; P32-M49 HydrophobicContact CG-CE 4.45Å; P32-M49 HydrophobicContact CG-SD 3.47Å; P32-M49 WeakPolarHBondContact CG-SD 3.39Å; W43-M49 HydrophobicContact CH2-CB 4.06Å; W43-M49 HydrophobicContact CH2-CG 4.1Å; W43-M49 HydrophobicContact CH2-SD 3.76Å; W43-M49 HydrophobicContact CZ2-CB 4.23Å; W43-M49 HydrophobicContact CZ2-CG 3.86Å; W43-M49 HydrophobicContact CZ2-SD 3.7Å; M49-R51 VanDerWaalsContact C-N 3.32Å; M49-R51 PolarHBondContact O-N 3.24Å; M49-N52 PolarHBondContact O-N 2.88Å; M49-L53 WeakPolarHBondContact O-CG 3.44Å; M49-L53 PolarHBondContact O-N 2.89Å; M49-F60 HydrophobicContact CB-CD2 4.3Å; M49-F60 HydrophobicContact CB-CE2 3.99Å; M49-F60 HydrophobicContact CE-CE2 4.34Å
50A90.3Very high91.5Very high34 Ų3463.7 Ų63.728%0.28133%0.327SS..Hα-helixtrans-60.7-43.4-179.700000111.4S48 Q54 F60S48-A50 VanDerWaalsContact C-N 3.27Å; S48-A50 PolarHBondContact O-N 2.9Å; A50-Q54 WeakPolarHBondContact O-CB 3.4Å; A50-Q54 PolarHBondContact O-N 2.95Å; A50-F60 HydrophobicContact CB-CB 4.07Å; A50-F60 HydrophobicContact CB-CD1 4.1Å; A50-F60 HydrophobicContact CB-CD2 4Å; A50-F60 HydrophobicContact CB-CG 3.77Å
51R91.3Very high91.2Very high140 Ų14059.8 Ų59.853%0.52832%0.316SS..Hα-helixtrans-67.8-42.2177.9-175.3174.3-177.6142.24112K47 S48 M49 Q54 E55K47-R51 HydrophobicContact CD-CG 4.31Å; S48-R51 PolarHBondContact O-N 3.28Å; S48-R51 VanDerWaalsContact O-N 3.12Å; S48-R51 WeakPolarHBondContact OG-CB 3.39Å; S48-R51 PolarHBondContact OG-N 3.16Å; M49-R51 VanDerWaalsContact C-N 3.32Å; M49-R51 PolarHBondContact O-N 3.24Å; R51-Q54 PolarHBondContact O-N 2.99Å; R51-E55 HydrophobicContact CG-CG 4.32Å; R51-E55 IonicContact CZ-OE1 3.9Å; R51-E55 IonicContact NE-OE1 3Å; R51-E55 PolarHBondContact NE-OE1 3.49Å; R51-E55 IonicContact NH2-OE1 3.89Å; R51-E55 WeakPolarHBondContact O-CB 3.48Å; R51-E55 VanDerWaalsContact O-CG 3.32Å; R51-E55 WeakPolarHBondContact O-CG 3.48Å; R51-E55 PolarHBondContact O-N 2.92Å
52N93.1Very high90.9Very high0 Ų057.4 Ų57.40%031%0.308CS..Hα-helixtrans-58.2-53.8176.4-84.1-39.8000111W43 D44 S48 M49 Q54 E55 M56W43-N52 HydrophobicContact CD2-CB 4.1Å; W43-N52 VanDerWaalsContact CE2-ND2 3.33Å; W43-N52 HydrophobicContact CE3-CB 3.77Å; W43-N52 HydrophobicContact CH2-CB 3.86Å; W43-N52 HydrophobicContact CZ2-CB 4.15Å; W43-N52 HydrophobicContact CZ3-CB 3.65Å; D44-N52 WeakPolarHBondContact CB-OD1 3.19Å; D44-N52 PolarHBondContact N-OD1 3.15Å; D44-N52 PolarHBondContact O-ND2 2.96Å; S48-N52 PolarHBondContact O-N 3.42Å; M49-N52 PolarHBondContact O-N 2.88Å; N52-Q54 VanDerWaalsContact C-N 3.3Å; N52-Q54 PolarHBondContact O-N 3.23Å; N52-E55 PolarHBondContact O-N 3.23Å; N52-M56 VanDerWaalsContact O-CG 3.25Å; N52-M56 WeakPolarHBondContact O-CG 3.45Å; N52-M56 PolarHBondContact O-N 3.46Å; N52-M56 VanDerWaalsContact O-N 3.12Å
53L91.6Very high90.5Very high31 Ų3162.3 Ų62.316%0.16233%0.333CS..Hα-helixtrans-59-44.4178.6-68.5178.2000111.3W43 M49 E55 M56 G57 L58 F60W43-L53 HydrophobicContact CH2-CG 4.49Å; W43-L53 HydrophobicContact CZ3-CD2 4Å; W43-L53 HydrophobicContact CZ3-CG 4.2Å; M49-L53 WeakPolarHBondContact O-CG 3.44Å; M49-L53 PolarHBondContact O-N 2.89Å; L53-E55 PolarHBondContact O-N 2.86Å; L53-M56 CarbonylContact O-C 3.53Å; L53-M56 WeakPolarHBondContact O-CA 3.19Å; L53-M56 WeakPolarHBondContact O-CB 3.33Å; L53-M56 PolarHBondContact O-N 3.4Å; L53-G57 PolarHBondContact O-N 3.38Å; L53-L58 CarbonylContact C-O 3.6Å; L53-L58 VanDerWaalsContact C-O 3.3Å; L53-L58 HydrophobicContact CB-CB 4Å; L53-L58 HydrophobicContact CD2-CB 4.02Å; L53-L58 HydrophobicContact CD2-CD1 3.83Å; L53-L58 WeakPolarHBondContact O-CA 3.35Å; L53-L58 PolarHBondContact O-N 3.42Å; L53-F60 HydrophobicContact CD1-CB 4.21Å; L53-F60 HydrophobicContact CD1-CD2 4.01Å
54Q91.2Very high89.9Confident83 Ų8368.2 Ų68.239%0.38836%0.356SS..Hα-helixtrans-64.7-37.9-179.6-170.6172.225.700113.2A50 R51 N52 M56 G57 H85A50-Q54 WeakPolarHBondContact O-CB 3.4Å; A50-Q54 PolarHBondContact O-N 2.95Å; R51-Q54 PolarHBondContact O-N 2.99Å; N52-Q54 VanDerWaalsContact C-N 3.3Å; N52-Q54 PolarHBondContact O-N 3.23Å; Q54-M56 VanDerWaalsContact C-N 3.26Å; Q54-M56 PolarHBondContact O-N 2.87Å; Q54-G57 PolarHBondContact O-N 3.24Å; Q54-H85 VanDerWaalsContact CD-CG 3.42Å; Q54-H85 VanDerWaalsContact CD-NE2 3.35Å; Q54-H85 HydrophobicContact CG-CB 4.01Å; Q54-H85 VanDerWaalsContact CG-CD2 3.49Å; Q54-H85 WeakPolarHBondContact CG-CD2 3.45Å; Q54-H85 PolarHBondContact NE2-CD2 2.98Å
55E93.3Very high89.4Confident7 Ų769.6 Ų69.63%0.03337%0.366CS..Hα-helixtrans-64.7-31.8172.8-76.3178.1-170.900112.2K47 R51 N52 L53 G57 V87 T88 K89K47-E55 WeakPolarHBondContact CD-OE1 3.31Å; K47-E55 WeakPolarHBondContact CE-OE1 3.44Å; K47-E55 IonicContact NZ-OE1 2.72Å; K47-E55 PolarHBondContact NZ-OE1 2.93Å; K47-E55 IonicContact NZ-OE2 2.67Å; K47-E55 PolarHBondContact NZ-OE2 2.93Å; R51-E55 HydrophobicContact CG-CG 4.32Å; R51-E55 IonicContact CZ-OE1 3.9Å; R51-E55 IonicContact NE-OE1 3Å; R51-E55 PolarHBondContact NE-OE1 3.49Å; R51-E55 IonicContact NH2-OE1 3.89Å; R51-E55 WeakPolarHBondContact O-CB 3.48Å; R51-E55 VanDerWaalsContact O-CG 3.32Å; R51-E55 WeakPolarHBondContact O-CG 3.48Å; R51-E55 PolarHBondContact O-N 2.92Å; N52-E55 PolarHBondContact O-N 3.23Å; L53-E55 PolarHBondContact O-N 2.86Å; E55-G57 VanDerWaalsContact C-N 3.27Å; E55-V87 WeakPolarHBondContact O-CG1 3.49Å; E55-T88 PolarHBondContact O-N 3.25Å; E55-T88 VanDerWaalsContact O-N 3.08Å; E55-K89 PolarHBondContact O-N 3.06Å
56M92.9Very high89Confident0 Ų071.3 Ų71.30%037%0.374CS..THydrogen-bonded Turntrans-81.2-3.2172.4-54.8-178.9-169.600113.1I39 A42 W43 N52 L53 Q54 L58 K89 I92 L93I39-M56 HydrophobicContact CG2-CE 4.39Å; I39-M56 HydrophobicContact CG2-SD 3.88Å; A42-M56 HydrophobicContact CB-CE 3.53Å; A42-M56 HydrophobicContact CB-SD 4.17Å; A42-M56 VanDerWaalsContact O-CE 3.27Å; A42-M56 WeakPolarHBondContact O-CE 3.34Å; W43-M56 HydrophobicContact CB-CE 4.49Å; W43-M56 HydrophobicContact CE3-CE 3.97Å; N52-M56 VanDerWaalsContact O-CG 3.25Å; N52-M56 WeakPolarHBondContact O-CG 3.45Å; N52-M56 PolarHBondContact O-N 3.46Å; N52-M56 VanDerWaalsContact O-N 3.12Å; L53-M56 CarbonylContact O-C 3.53Å; L53-M56 WeakPolarHBondContact O-CA 3.19Å; L53-M56 WeakPolarHBondContact O-CB 3.33Å; L53-M56 PolarHBondContact O-N 3.4Å; Q54-M56 VanDerWaalsContact C-N 3.26Å; Q54-M56 PolarHBondContact O-N 2.87Å; M56-L58 VanDerWaalsContact C-N 3.31Å; M56-L58 HydrophobicContact CB-CD1 4.36Å; M56-L58 HydrophobicContact CB-CG 4.29Å; M56-K89 HydrophobicContact CG-CD 4.47Å; M56-I92 HydrophobicContact CB-CD1 3.83Å; M56-I92 HydrophobicContact CB-CG2 4.46Å; M56-I92 HydrophobicContact CE-CD1 4.46Å; M56-I92 HydrophobicContact CG-CD1 3.38Å; M56-I92 HydrophobicContact SD-CD1 3.81Å; M56-L93 VanDerWaalsContact O-CG 3.31Å; M56-L93 WeakPolarHBondContact O-CG 3.32Å
57G90.4Very high88.5Confident30 Ų3067.6 Ų67.631%0.30936%0.359SS..THydrogen-bonded Turntrans75.616.9-176.300000114.6L53 Q54 E55L53-G57 PolarHBondContact O-N 3.38Å; Q54-G57 PolarHBondContact O-N 3.24Å; E55-G57 VanDerWaalsContact C-N 3.27Å
58L91.1Very high87.9Confident47 Ų4771 Ų7125%0.24638%0.378CS..  trans-94.8148.1175.6-61.5175.8000111.7I39 L53 M56 L93 L96I39-L58 HydrophobicContact CD1-CD1 3.99Å; I39-L58 HydrophobicContact CG1-CD1 4.43Å; L53-L58 CarbonylContact C-O 3.6Å; L53-L58 VanDerWaalsContact C-O 3.3Å; L53-L58 HydrophobicContact CB-CB 4Å; L53-L58 HydrophobicContact CD2-CB 4.02Å; L53-L58 HydrophobicContact CD2-CD1 3.83Å; L53-L58 WeakPolarHBondContact O-CA 3.35Å; L53-L58 PolarHBondContact O-N 3.42Å; M56-L58 VanDerWaalsContact C-N 3.31Å; M56-L58 HydrophobicContact CB-CD1 4.36Å; M56-L58 HydrophobicContact CB-CG 4.29Å; L58-L93 HydrophobicContact CD2-CD2 3.83Å; L58-L96 HydrophobicContact CD2-CD1 4.3Å
59S90.3Very high87.1Confident57 Ų5776.6 Ų76.640%0.39939%0.394SS..  trans-78.9125.7176.1164.30000111.3D61 T65S59-D61 PolarHBondContact OG-O 3.22Å; S59-T65 WeakPolarHBondContact OG-CG2 3.35Å; S59-T65 PolarHBondContact OG-OG1 3.09Å
60F88.8Confident86.2Confident122 Ų12282.4 Ų82.454%0.53542%0.418SS..SBendtrans-76.2-38.4169.8176.2-100.9000113M49 A50 L53M49-F60 HydrophobicContact CB-CD2 4.3Å; M49-F60 HydrophobicContact CB-CE2 3.99Å; M49-F60 HydrophobicContact CE-CE2 4.34Å; A50-F60 HydrophobicContact CB-CB 4.07Å; A50-F60 HydrophobicContact CB-CD1 4.1Å; A50-F60 HydrophobicContact CB-CD2 4Å; A50-F60 HydrophobicContact CB-CG 3.77Å; L53-F60 HydrophobicContact CD1-CB 4.21Å; L53-F60 HydrophobicContact CD1-CD2 4.01Å
61D88.1Confident85.1Confident63 Ų6390.4 Ų90.434%0.33745%0.45SS..  trans-131109.1-179.4177.51000109.4S59 N63 R64 T65S59-D61 PolarHBondContact OG-O 3.22Å; D61-N63 VanDerWaalsContact C-N 3.34Å; D61-N63 PolarHBondContact O-N 3.07Å; D61-N63 PolarHBondContact OD1-N 3.43Å; D61-N63 VanDerWaalsContact OD1-N 3.09Å; D61-R64 HydrophobicContact CB-CB 3.8Å; D61-R64 WeakPolarHBondContact O-CB 3.44Å; D61-R64 PolarHBondContact O-N 2.64Å; D61-R64 PolarHBondContact OD1-N 3.16Å; D61-R64 WeakPolarHBondContact OD2-CB 3.13Å; D61-T65 PolarHBondContact O-N 3.42Å; D61-T65 VanDerWaalsContact O-N 3.07Å; D61-T65 PolarHBondContact O-OG1 3.07Å
62P85.3Confident83.9Confident79 Ų7988.1 Ų88.151%0.51345%0.451SS..Hα-helixtrans-65.5-34.7-176.227.1-34.3000112.6R64 T65 L66P62-R64 PolarHBondContact O-N 3.42Å; P62-T65 WeakPolarHBondContact CA-OG1 3.41Å; P62-T65 PolarHBondContact O-N 2.87Å; P62-T65 PolarHBondContact O-OG1 2.73Å; P62-L66 WeakPolarHBondContact O-CA 3.42Å; P62-L66 PolarHBondContact O-N 3.27Å
63N85.1Confident82.5Confident107 Ų10797 Ų9757%0.57250%0.498SS*.Hα-helixtrans-68.4-28.2178.6-67.2-39.7000111.3D61 P67D61-N63 VanDerWaalsContact C-N 3.34Å; D61-N63 PolarHBondContact O-N 3.07Å; D61-N63 PolarHBondContact OD1-N 3.43Å; D61-N63 VanDerWaalsContact OD1-N 3.09Å; N63-P67 WeakPolarHBondContact O-CA 3.46Å
64R82.1Confident81.1Confident153 Ų153102.8 Ų102.858%0.57753%0.528SS*.Hα-helixtrans-78.6-35.7176.8-178.4174.1177175.1-0.5112.1D61 P62 R82D61-R64 HydrophobicContact CB-CB 3.8Å; D61-R64 WeakPolarHBondContact O-CB 3.44Å; D61-R64 PolarHBondContact O-N 2.64Å; D61-R64 PolarHBondContact OD1-N 3.16Å; D61-R64 WeakPolarHBondContact OD2-CB 3.13Å; P62-R64 PolarHBondContact O-N 3.42Å; R64-R82 PolarHBondContact O-NH1 2.97Å
65T82.1Confident79.4Confident74 Ų74102.4 Ų102.445%0.45455%0.546SS..Hα-helixtrans-85.2-36.4-178.851.40000112.6S59 D61 P62 P67S59-T65 WeakPolarHBondContact OG-CG2 3.35Å; S59-T65 PolarHBondContact OG-OG1 3.09Å; D61-T65 PolarHBondContact O-N 3.42Å; D61-T65 VanDerWaalsContact O-N 3.07Å; D61-T65 PolarHBondContact O-OG1 3.07Å; P62-T65 WeakPolarHBondContact CA-OG1 3.41Å; P62-T65 PolarHBondContact O-N 2.87Å; P62-T65 PolarHBondContact O-OG1 2.73Å; T65-P67 WeakPolarHBondContact O-CD 3.4Å
66L81.8Confident77.6Confident135 Ų135104.7 Ų104.771%0.70757%0.572SS**SBendtrans-119.878.2176.7-61177000109.1P62 I68P62-L66 WeakPolarHBondContact O-CA 3.42Å; P62-L66 PolarHBondContact O-N 3.27Å; L66-I68 PolarHBondContact O-N 3.42Å
67P78.9Confident75.9Confident77 Ų77111.5 Ų111.550%0.561%0.609SS.*  trans-62.9123.2-178.525.8-33.2000110.5N63 T65 K69N63-P67 WeakPolarHBondContact O-CA 3.46Å; T65-P67 WeakPolarHBondContact O-CD 3.4Å; P67-K69 PolarHBondContact O-N 2.96Å; P67-K69 VanDerWaalsContact O-N 3.11Å
68I78.4Confident74.5Confident130 Ų130115.5 Ų115.567%0.66763%0.627SS**  trans-66.6112.1173.1-59.7171.1000107.4L66 K70L66-I68 PolarHBondContact O-N 3.42Å; I68-K70 PolarHBondContact O-N 3.11Å
69K73.9Confident72.8Confident185 Ų185119.3 Ų119.380%0.80465%0.648SS**  trans-63.3103.7174.9-66.4-175.9179.5-175.30108.7P67 Q71P67-K69 PolarHBondContact O-N 2.96Å; P67-K69 VanDerWaalsContact O-N 3.11Å; K69-Q71 PolarHBondContact O-N 2.74Å
70K70.9Confident71.3Confident177 Ų177121.1 Ų121.177%0.7765%0.653SS**  trans-73.9120.1168.2-63.8-174.7-178.2-177.60107.1I68 T72I68-K70 PolarHBondContact O-N 3.11Å; K70-T72 VanDerWaalsContact C-N 3.31Å; K70-T72 HydrophobicContact CB-CG2 4.46Å; K70-T72 PolarHBondContact O-N 3.22Å
71Q67.4Low69.8Low202 Ų202126 Ų12694%0.94467%0.668SS**  trans-62.997.6170.4-70-174.4-15.300107.7K69K69-Q71 PolarHBondContact O-N 2.74Å
72T66.1Low68.6Low92 Ų92128.5 Ų128.556%0.56467%0.673SS**  trans-101.7137.2172.444.20000107.1K70 L74K70-T72 VanDerWaalsContact C-N 3.31Å; K70-T72 HydrophobicContact CB-CG2 4.46Å; K70-T72 PolarHBondContact O-N 3.22Å; T72-L74 PolarHBondContact O-N 3.45Å; T72-L74 VanDerWaalsContact O-N 3.15Å; T72-L74 PolarHBondContact OG1-O 3.36Å
73L63.3Low67.5Low187 Ų187130.6 Ų130.698%0.97969%0.686SS**SBendtrans-62.3-20.5-175.7-69.6165.8000112.9
74L62.4Low66.6Low151 Ų151130.2 Ų130.279%0.79170%0.698SS**SBendtrans-101105.1168.7-77.987.2000108.3T72 G76T72-L74 PolarHBondContact O-N 3.45Å; T72-L74 VanDerWaalsContact O-N 3.15Å; T72-L74 PolarHBondContact OG1-O 3.36Å; L74-G76 PolarHBondContact O-N 3.24Å
75G55.4Low66.1Low75 Ų75127.3 Ų127.377%0.77369%0.69SS**  trans-62.773.1-17800000114.1N77G75-N77 PolarHBondContact O-N 2.96Å
76G54.9Low66.1Low56 Ų56130.6 Ų130.658%0.57770%0.704SS**  trans-82.889.3168.700000110.1L74 T78L74-G76 PolarHBondContact O-N 3.24Å; G76-T78 PolarHBondContact O-N 2.89Å
77N58.2Low66.4Low143 Ų143126.8 Ų126.877%0.76569%0.686SS**  trans-71.584.8160.8-72.7-62.2000107.7G75 D79G75-N77 PolarHBondContact O-N 2.96Å; N77-D79 VanDerWaalsContact C-N 3.33Å; N77-D79 PolarHBondContact O-N 3.42Å
78T59.3Low67Low114 Ų114127.5 Ų127.570%0.69969%0.689SS**  trans-70.698.7163.8510000106.7G76 D80G76-T78 PolarHBondContact O-N 2.89Å; T78-D80 PolarHBondContact O-N 3.17Å
79D56.3Low67.6Low127 Ų127123.2 Ų123.268%0.67967%0.666SS**  trans-60.988.2167.4-102.2-11.8000107.9N77 R81N77-D79 VanDerWaalsContact C-N 3.33Å; N77-D79 PolarHBondContact O-N 3.42Å; D79-R81 PolarHBondContact O-N 3.45Å
80D58.5Low68.5Low95 Ų95117.9 Ų117.951%0.50865%0.65SS.*  trans-71.258.2168.1-80.7-21.3000108.9T78 R82T78-D80 PolarHBondContact O-N 3.17Å; D80-R82 PolarHBondContact O-N 3.48Å; D80-R82 IonicContact OD2-NH2 3.58Å
81R58Low69.6Low223 Ų223114.6 Ų114.684%0.84263%0.633SS**  trans-68.877.2170.3-87.2-175.1179.9-1791108.7D79D79-R81 PolarHBondContact O-N 3.45Å
82R61.9Low70.8Confident117 Ų117105 Ų10544%0.44259%0.589SS.*PPolyproline II helixtrans-73.7144.3168.6-65.3-179-172.1151.37.1108.6R64 D80 A84R64-R82 PolarHBondContact O-NH1 2.97Å; D80-R82 PolarHBondContact O-N 3.48Å; D80-R82 IonicContact OD2-NH2 3.58Å; R82-A84 PolarHBondContact O-N 3.37Å
83P63.1Low72.1Confident123 Ų123103.6 Ų103.680%0.79958%0.577SS**PPolyproline II helixtrans-57.5128175.723.4-32.2000109.2H85P83-H85 PolarHBondContact O-N 3.32Å; P83-H85 VanDerWaalsContact O-N 3.16Å
84A65.9Low73.5Confident98 Ų9897.8 Ų97.881%0.8155%0.55SS**PPolyproline II helixtrans-57.1120.4173.200000108.1R82R82-A84 PolarHBondContact O-N 3.37Å
85H71.1Confident75.1Confident92 Ų9294.9 Ų94.943%0.42653%0.531SS..PPolyproline II helixtrans-76.2133.4179.9-170.1-73.8000109.8Q54 P83 V87Q54-H85 VanDerWaalsContact CD-CG 3.42Å; Q54-H85 VanDerWaalsContact CD-NE2 3.35Å; Q54-H85 HydrophobicContact CG-CB 4.01Å; Q54-H85 VanDerWaalsContact CG-CD2 3.49Å; Q54-H85 WeakPolarHBondContact CG-CD2 3.45Å; Q54-H85 PolarHBondContact NE2-CD2 2.98Å; P83-H85 PolarHBondContact O-N 3.32Å; P83-H85 VanDerWaalsContact O-N 3.16Å; H85-V87 PolarHBondContact O-N 3.43Å
86I82.6Confident76.9Confident144 Ų14493.2 Ų93.274%0.73850%0.504SS*.PPolyproline II helixtrans-70.9117.9177-59.6166.3000108.7T88I86-T88 PolarHBondContact O-N 3.39Å
87V87.3Confident78.8Confident54 Ų5497.5 Ų97.533%0.32751%0.509SS..PPolyproline II helixtrans-77.5118.6177.3-179.30000108.9E55 H85 P90E55-V87 WeakPolarHBondContact O-CG1 3.49Å; H85-V87 PolarHBondContact O-N 3.43Å; V87-P90 HydrophobicContact CG1-CB 4.32Å
88T91.1Very high80.5Confident93 Ų9396.2 Ų96.257%0.57150%0.499SS*.SBendtrans-84.1-30.2-178.9-50.70000112.4E55 I86 P90E55-T88 PolarHBondContact O-N 3.25Å; E55-T88 VanDerWaalsContact O-N 3.08Å; I86-T88 PolarHBondContact O-N 3.39Å; T88-P90 VanDerWaalsContact C-CD 3.41Å; T88-P90 VanDerWaalsContact O-CD 3.3Å; T88-P90 WeakPolarHBondContact O-CD 3.45Å
89K92.8Very high82.1Confident39 Ų3994.7 Ų94.717%0.1748%0.483CS..  trans-121.367.6-175.4-61.9176-178.4166.70110.8A42 E55 M56 Y91 I92A42-K89 HydrophobicContact CB-CD 4.32Å; A42-K89 PolarHBondContact O-NZ 3.29Å; E55-K89 PolarHBondContact O-N 3.06Å; M56-K89 HydrophobicContact CG-CD 4.47Å; K89-Y91 VanDerWaalsContact C-N 3.28Å; K89-Y91 HydrophobicContact CB-CD1 4.22Å; K89-Y91 HydrophobicContact CB-CE1 3.68Å; K89-Y91 HydrophobicContact CG-CE1 4.04Å; K89-Y91 PolarHBondContact O-N 3.06Å; K89-I92 HydrophobicContact CB-CD1 3.7Å; K89-I92 HydrophobicContact CB-CG1 4.48Å; K89-I92 HydrophobicContact CD-CD1 4.15Å
90P91.4Very high83.8Confident74 Ų7492.6 Ų92.648%0.48148%0.484SS..THydrogen-bonded Turntrans-68.7-25.4-174.428.4-35.8000113.5V87 T88 I92 L93 T94V87-P90 HydrophobicContact CG1-CB 4.32Å; T88-P90 VanDerWaalsContact C-CD 3.41Å; T88-P90 VanDerWaalsContact O-CD 3.3Å; T88-P90 WeakPolarHBondContact O-CD 3.45Å; P90-I92 PolarHBondContact O-N 2.87Å; P90-L93 PolarHBondContact O-N 2.94Å; P90-L93 VanDerWaalsContact O-N 3.1Å; P90-T94 PolarHBondContact O-N 2.96Å
91Y93.8Very high85.5Confident107 Ų10792.2 Ų92.242%0.4249%0.488SS..Hα-helixtrans-59.4-17.2-179.170.5-92.3000114.3A42 K89 T94 K95A42-Y91 WeakPolarHBondContact CB-OH 3.47Å; K89-Y91 VanDerWaalsContact C-N 3.28Å; K89-Y91 HydrophobicContact CB-CD1 4.22Å; K89-Y91 HydrophobicContact CB-CE1 3.68Å; K89-Y91 HydrophobicContact CG-CE1 4.04Å; K89-Y91 PolarHBondContact O-N 3.06Å; Y91-T94 WeakPolarHBondContact CA-OG1 3.45Å; Y91-T94 PolarHBondContact O-OG1 3.03Å; Y91-K95 VanDerWaalsContact O-CG 3.26Å; Y91-K95 WeakPolarHBondContact O-CG 3.44Å; Y91-K95 PolarHBondContact O-N 3.2Å
92I94.1Very high87.2Confident0 Ų087.5 Ų87.50%048%0.48CS..Hα-helixtrans-80-42.5179.5-60.4163.4000109.4I39 A42 M56 K89 P90 K95 L96I39-I92 HydrophobicContact CG1-CG2 4.39Å; A42-I92 HydrophobicContact CB-CD1 3.22Å; A42-I92 HydrophobicContact CB-CG1 4.13Å; M56-I92 HydrophobicContact CB-CD1 3.83Å; M56-I92 HydrophobicContact CB-CG2 4.46Å; M56-I92 HydrophobicContact CE-CD1 4.46Å; M56-I92 HydrophobicContact CG-CD1 3.38Å; M56-I92 HydrophobicContact SD-CD1 3.81Å; K89-I92 HydrophobicContact CB-CD1 3.7Å; K89-I92 HydrophobicContact CB-CG1 4.48Å; K89-I92 HydrophobicContact CD-CD1 4.15Å; P90-I92 PolarHBondContact O-N 2.87Å; I92-K95 PolarHBondContact O-N 3.27Å; I92-L96 HydrophobicContact CG2-CD1 3.92Å; I92-L96 HydrophobicContact CG2-CG 4.37Å; I92-L96 WeakPolarHBondContact O-CB 3.48Å; I92-L96 VanDerWaalsContact O-CG 3.24Å; I92-L96 WeakPolarHBondContact O-CG 3.38Å; I92-L96 PolarHBondContact O-N 2.9Å
93L92.5Very high88.5Confident63 Ų6391 Ų9133%0.3350%0.501SS..Hα-helixtrans-62.8-44.7176.3-72.9178.1000111.4M56 L58 P90 K95 L96 Q97M56-L93 VanDerWaalsContact O-CG 3.31Å; M56-L93 WeakPolarHBondContact O-CG 3.32Å; L58-L93 HydrophobicContact CD2-CD2 3.83Å; P90-L93 PolarHBondContact O-N 2.94Å; P90-L93 VanDerWaalsContact O-N 3.1Å; L93-K95 VanDerWaalsContact C-N 3.33Å; L93-K95 PolarHBondContact O-N 3.41Å; L93-L96 PolarHBondContact O-N 2.95Å; L93-Q97 VanDerWaalsContact O-CB 3.24Å; L93-Q97 WeakPolarHBondContact O-CB 3.41Å; L93-Q97 PolarHBondContact O-N 3.09Å
94T94Very high89.5Confident66 Ų6694 Ų9441%0.40550%0.504SS..Hα-helixtrans-58.8-48.1-179.958.70000110.6P90 Y91 Q97 E98P90-T94 PolarHBondContact O-N 2.96Å; Y91-T94 WeakPolarHBondContact CA-OG1 3.45Å; Y91-T94 PolarHBondContact O-OG1 3.03Å; T94-Q97 PolarHBondContact O-N 3.42Å; T94-E98 WeakPolarHBondContact O-CB 3.36Å; T94-E98 VanDerWaalsContact O-CG 3.24Å; T94-E98 WeakPolarHBondContact O-CG 3.4Å; T94-E98 PolarHBondContact O-N 3.5Å
95K94.6Very high90.2Very high90 Ų9098.8 Ų98.839%0.39151%0.507SS..Hα-helixtrans-67.1-40.1179.2-72.4179.9179.3-169.10113.5Y91 I92 L93 Q97 E98 E99Y91-K95 VanDerWaalsContact O-CG 3.26Å; Y91-K95 WeakPolarHBondContact O-CG 3.44Å; Y91-K95 PolarHBondContact O-N 3.2Å; I92-K95 PolarHBondContact O-N 3.27Å; L93-K95 VanDerWaalsContact C-N 3.33Å; L93-K95 PolarHBondContact O-N 3.41Å; K95-Q97 VanDerWaalsContact C-N 3.3Å; K95-Q97 PolarHBondContact O-N 2.99Å; K95-E98 PolarHBondContact O-N 3.19Å; K95-E99 WeakPolarHBondContact O-CB 3.44Å; K95-E99 VanDerWaalsContact O-CG 3.32Å; K95-E99 WeakPolarHBondContact O-CG 3.08Å; K95-E99 PolarHBondContact O-N 3.45Å
96L93.5Very high90.7Very high39 Ų3999.4 Ų99.420%0.20451%0.513CS..Hα-helixtrans-64.4-37.9174.9-73.9174.6000111.5H36 I39 L58 I92 L93 A100H36-L96 WeakPolarHBondContact CE1-CD2 3.41Å; I39-L96 HydrophobicContact CD1-CD1 4.29Å; I39-L96 HydrophobicContact CG1-CD1 4.4Å; L58-L96 HydrophobicContact CD2-CD1 4.3Å; I92-L96 HydrophobicContact CG2-CD1 3.92Å; I92-L96 HydrophobicContact CG2-CG 4.37Å; I92-L96 WeakPolarHBondContact O-CB 3.48Å; I92-L96 VanDerWaalsContact O-CG 3.24Å; I92-L96 WeakPolarHBondContact O-CG 3.38Å; I92-L96 PolarHBondContact O-N 2.9Å; L93-L96 PolarHBondContact O-N 2.95Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 2.79Å
97Q94Very high90.6Very high146 Ų14697.7 Ų97.768%0.68251%0.514SS*.Hα-helixtrans-68.3-42175.9-178.6177.4-15.300111.3L93 T94 K95 A100 S101L93-Q97 VanDerWaalsContact O-CB 3.24Å; L93-Q97 WeakPolarHBondContact O-CB 3.41Å; L93-Q97 PolarHBondContact O-N 3.09Å; T94-Q97 PolarHBondContact O-N 3.42Å; K95-Q97 VanDerWaalsContact C-N 3.3Å; K95-Q97 PolarHBondContact O-N 2.99Å; Q97-A100 PolarHBondContact O-N 2.79Å; Q97-S101 VanDerWaalsContact O-CB 3.3Å; Q97-S101 WeakPolarHBondContact O-CB 3.45Å; Q97-S101 PolarHBondContact O-N 2.79Å; Q97-S101 PolarHBondContact O-OG 2.76Å
98E94.5Very high90.5Very high117 Ų117101.5 Ų101.555%0.54753%0.526SS..Hα-helixtrans-58.8-52.1173-74.1161.6-160.100110.6T94 K95 A100 S101 L102T94-E98 WeakPolarHBondContact O-CB 3.36Å; T94-E98 VanDerWaalsContact O-CG 3.24Å; T94-E98 WeakPolarHBondContact O-CG 3.4Å; T94-E98 PolarHBondContact O-N 3.5Å; K95-E98 PolarHBondContact O-N 3.19Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 3.2Å; E98-S101 PolarHBondContact O-N 3.18Å; E98-S101 VanDerWaalsContact O-N 3.12Å; E98-S101 PolarHBondContact O-OG 3.29Å; E98-L102 PolarHBondContact O-N 3.07Å
99E92.4Very high90.4Very high81 Ų81102.2 Ų102.238%0.37953%0.53SS..Hα-helixtrans-59-42.4177.8-74.5171.4174.300112.1H36 Q38 K95 S101 L102H36-E99 IonicContact CE1-OE2 3.59Å; H36-E99 PolarHBondContact CE1-OE2 3.48Å; H36-E99 IonicContact NE2-OE2 3.81Å; H36-E99 PolarHBondContact NE2-OE2 2.94Å; H36-E99 VanDerWaalsContact NE2-OE2 3.08Å; Q38-E99 PolarHBondContact NE2-OE1 3.33Å; K95-E99 WeakPolarHBondContact O-CB 3.44Å; K95-E99 VanDerWaalsContact O-CG 3.32Å; K95-E99 WeakPolarHBondContact O-CG 3.08Å; K95-E99 PolarHBondContact O-N 3.45Å; E99-S101 VanDerWaalsContact C-N 3.32Å; E99-S101 PolarHBondContact O-N 2.91Å; E99-L102 WeakPolarHBondContact O-CB 3.36Å; E99-L102 PolarHBondContact O-N 3.29Å
100A92.8Very high90.3Very high84 Ų84101.9 Ų101.969%0.69453%0.53SS*.Hα-helixtrans-72.2-24177.800000113.7L96 Q97 E98 L102L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 2.79Å; Q97-A100 PolarHBondContact O-N 2.79Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 3.2Å; A100-L102 VanDerWaalsContact C-N 3.26Å
101S95Very high90.5Very high86 Ų86101.6 Ų101.660%0.60153%0.53SS*.Hα-helixtrans-75.1-18.5176.2750000112.8Q97 E98 E99 Q103Q97-S101 VanDerWaalsContact O-CB 3.3Å; Q97-S101 WeakPolarHBondContact O-CB 3.45Å; Q97-S101 PolarHBondContact O-N 2.79Å; Q97-S101 PolarHBondContact O-OG 2.76Å; E98-S101 PolarHBondContact O-N 3.18Å; E98-S101 VanDerWaalsContact O-N 3.12Å; E98-S101 PolarHBondContact O-OG 3.29Å; E99-S101 VanDerWaalsContact C-N 3.32Å; E99-S101 PolarHBondContact O-N 2.91Å; S101-Q103 PolarHBondContact O-N 3.37Å
102L93.1Very high90.5Very high125 Ų12599.9 Ų99.965%0.65453%0.534SS*.SBendtrans-65.3127.3176.4-61.5174.9000109.6E98 E99 A100 E104E98-L102 PolarHBondContact O-N 3.07Å; E99-L102 WeakPolarHBondContact O-CB 3.36Å; E99-L102 PolarHBondContact O-N 3.29Å; A100-L102 VanDerWaalsContact C-N 3.26Å; L102-E104 PolarHBondContact O-N 3.47Å
103Q88.5Confident90.5Very high190 Ų190105.7 Ų105.789%0.88857%0.565SS**PPolyproline II helixtrans-68.7131.3175.1-67.1-180-16.400109.9S101S101-Q103 PolarHBondContact O-N 3.37Å
104E84.4Confident90.5Very high187 Ų187104.1 Ų104.187%0.87456%0.557SS**PPolyproline II helixtrans-66.4142170.3-65.8-175.1172.400110.2L102 D106L102-E104 PolarHBondContact O-N 3.47Å; E104-D106 PolarHBondContact O-N 3.28Å
105K82Confident90.6Very high197 Ų197101.9 Ų101.986%0.85754%0.542SS*.PPolyproline II helixtrans-72.7125175.2-64.9-178.5179.9-178.80109S107K105-S107 PolarHBondContact O-N 2.94Å
106D79.8Confident90.6Very high105 Ų105102.9 Ų102.956%0.56155%0.548SS*.  trans-64.6100.9169.5-87.4-21.6000109.2E104 K108 R156E104-D106 PolarHBondContact O-N 3.28Å; D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.11Å; D106-R156 IonicContact OD1-NH2 3.47Å; D106-R156 IonicContact OD2-CZ 2.6Å; D106-R156 IonicContact OD2-NE 2.85Å; D106-R156 IonicContact OD2-NH2 3.59Å; D106-R156 PolarHBondContact OD2-NH2 2.9Å
107S81.9Confident90.7Very high109 Ų109102.2 Ų102.276%0.76254%0.543SS*.  trans-88.91317759.90000113.6K105 T109K105-S107 PolarHBondContact O-N 2.94Å; S107-T109 PolarHBondContact O-N 3.5Å
108K84.9Confident90.8Very high133 Ų13395.2 Ų95.258%0.57851%0.511SS*.  trans-72.8122.2-176.3-66.3172.6-175.3163.80109.9D106 C157D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.11Å; K108-C157 PolarHBondContact O-SG 3.43Å
109T89.4Confident90.8Very high108 Ų10891.3 Ų91.366%0.66349%0.492SS*.  trans-114.1167.1174.156.40000110.6S107S107-T109 PolarHBondContact O-N 3.5Å
110L90.6Very high91Very high32 Ų3290 Ų9017%0.16849%0.486CS..  trans-114.6154.2173.8-61.9176.9000110.7L114 I115 E153 C157L110-L114 HydrophobicContact CB-CD2 4.23Å; L110-L114 HydrophobicContact CD1-CD2 4.04Å; L110-L114 HydrophobicContact CD2-CD2 3.62Å; L110-L114 HydrophobicContact CG-CD2 4.16Å; L110-I115 HydrophobicContact CB-CG1 4.27Å; L110-E153 HydrophobicContact CD1-CB 4.4Å; L110-E153 HydrophobicContact CD2-CB 4.35Å; L110-C157 HydrophobicContact CD1-CB 4.17Å; L110-C157 HydrophobicContact CG-CB 3.95Å
111S94.1Very high91.1Very high69 Ų6986 Ų8648%0.48345%0.453SS..  trans-67.2153.4171.856.80000111.7D113 L114 I115S111-D113 VanDerWaalsContact C-N 3.31Å; S111-D113 PolarHBondContact O-N 3.25Å; S111-L114 PolarHBondContact O-N 2.84Å; S111-L114 WeakPolarHBondContact OG-CB 3.37Å; S111-I115 WeakPolarHBondContact O-CG1 3.48Å; S111-I115 PolarHBondContact O-N 2.89Å
112S94Very high91.1Very high70 Ų7082.7 Ų82.749%0.4943%0.428SS..Hα-helixtrans-55.7-47.5175.4-162.30000111.2L114 I115 E116S112-L114 PolarHBondContact O-N 2.78Å; S112-L114 VanDerWaalsContact O-N 3.16Å; S112-I115 WeakPolarHBondContact O-CA 3.38Å; S112-I115 WeakPolarHBondContact O-CB 3.38Å; S112-I115 PolarHBondContact O-N 3.5Å; S112-E116 PolarHBondContact O-N 2.77Å; S112-E116 PolarHBondContact OG-OE1 3.5Å
113D94Very high91.1Very high122 Ų12282.9 Ų82.965%0.65242%0.42SS*.Hα-helixtrans-55.4-38.1-179.3-56.412.7000112.8S111 Y117S111-D113 VanDerWaalsContact C-N 3.31Å; S111-D113 PolarHBondContact O-N 3.25Å; D113-Y117 WeakPolarHBondContact O-CB 3.3Å; D113-Y117 PolarHBondContact O-N 3.27Å
114L94Very high91.4Very high30 Ų3079.3 Ų79.316%0.15740%0.404CS..Hα-helixtrans-72.3-35.1179.2-17464.2000111.5L110 S111 S112 Y117 A118 K150L110-L114 HydrophobicContact CB-CD2 4.23Å; L110-L114 HydrophobicContact CD1-CD2 4.04Å; L110-L114 HydrophobicContact CD2-CD2 3.62Å; L110-L114 HydrophobicContact CG-CD2 4.16Å; S111-L114 PolarHBondContact O-N 2.84Å; S111-L114 WeakPolarHBondContact OG-CB 3.37Å; S112-L114 PolarHBondContact O-N 2.78Å; S112-L114 VanDerWaalsContact O-N 3.16Å; L114-Y117 HydrophobicContact CD1-CD1 4.46Å; L114-A118 WeakPolarHBondContact O-CB 3.19Å; L114-A118 PolarHBondContact O-N 3.43Å; L114-K150 HydrophobicContact CD1-CB 4.09Å; L114-K150 HydrophobicContact CD1-CD 3.74Å; L114-K150 HydrophobicContact CD1-CG 3.95Å
115I95.6Very high91.9Very high20 Ų2072.3 Ų72.310%0.10337%0.371CS..Hα-helixtrans-67.4-48.7175.6-64168.4000109.5L110 S111 S112 Y117 A118 Q119 Y154L110-I115 HydrophobicContact CB-CG1 4.27Å; S111-I115 WeakPolarHBondContact O-CG1 3.48Å; S111-I115 PolarHBondContact O-N 2.89Å; S112-I115 WeakPolarHBondContact O-CA 3.38Å; S112-I115 WeakPolarHBondContact O-CB 3.38Å; S112-I115 PolarHBondContact O-N 3.5Å; I115-Y117 VanDerWaalsContact C-N 3.34Å; I115-Y117 PolarHBondContact O-N 2.65Å; I115-A118 PolarHBondContact O-N 3.36Å; I115-Q119 HydrophobicContact CG2-CG 4.37Å; I115-Q119 WeakPolarHBondContact O-CB 3.28Å; I115-Q119 VanDerWaalsContact O-CG 3.31Å; I115-Q119 WeakPolarHBondContact O-CG 3.32Å; I115-Q119 PolarHBondContact O-N 3.49Å; I115-Y154 HydrophobicContact CB-CE2 4.49Å; I115-Y154 HydrophobicContact CG1-CD2 4.04Å; I115-Y154 HydrophobicContact CG1-CE2 4.19Å; I115-Y154 HydrophobicContact CG2-CD2 4.3Å; I115-Y154 HydrophobicContact CG2-CE2 3.75Å
116E95.3Very high92.3Very high110 Ų11070.2 Ų70.251%0.51436%0.362SS..Hα-helixtrans-60.3-44.3177.3-72.2170.5-146.900111.5S112 A118 Q119 H120S112-E116 PolarHBondContact O-N 2.77Å; S112-E116 PolarHBondContact OG-OE1 3.5Å; E116-A118 PolarHBondContact O-N 3.37Å; E116-Q119 PolarHBondContact O-N 3.12Å; E116-H120 WeakPolarHBondContact O-CB 3.22Å; E116-H120 PolarHBondContact O-N 3.4Å
117Y95.5Very high92.8Very high25 Ų2570.4 Ų70.410%0.09836%0.363CS..Hα-helixtrans-57.6-48.7173.3172.1-93.9000111.8D113 L114 I115 H120 M121 N138 I147 K150D113-Y117 WeakPolarHBondContact O-CB 3.3Å; D113-Y117 PolarHBondContact O-N 3.27Å; L114-Y117 HydrophobicContact CD1-CD1 4.46Å; I115-Y117 VanDerWaalsContact C-N 3.34Å; I115-Y117 PolarHBondContact O-N 2.65Å; Y117-H120 PolarHBondContact O-N 2.92Å; Y117-M121 HydrophobicContact CD1-CG 4.48Å; Y117-M121 HydrophobicContact CD2-CE 4.1Å; Y117-M121 HydrophobicContact CE1-CG 4.11Å; Y117-M121 HydrophobicContact CE2-CE 3.38Å; Y117-M121 HydrophobicContact CE2-CG 4.27Å; Y117-M121 VanDerWaalsContact O-CG 3.27Å; Y117-M121 WeakPolarHBondContact O-CG 3.41Å; Y117-M121 PolarHBondContact O-N 3.39Å; Y117-N138 PolarHBondContact OH-OD1 3.12Å; Y117-I147 WeakPolarHBondContact OH-CG1 3.31Å; Y117-K150 HydrophobicContact CE1-CD 4.06Å
118A94.9Very high93.4Very high0 Ų070.5 Ų70.50%036%0.355CS..Hα-helixtrans-64.8-41.6179.900000111.9L114 I115 E116 M121 I122 I151 Y154L114-A118 WeakPolarHBondContact O-CB 3.19Å; L114-A118 PolarHBondContact O-N 3.43Å; I115-A118 PolarHBondContact O-N 3.36Å; E116-A118 PolarHBondContact O-N 3.37Å; A118-M121 PolarHBondContact O-N 3.21Å; A118-I122 WeakPolarHBondContact O-CD1 3.35Å; A118-I122 WeakPolarHBondContact O-CG1 3.41Å; A118-I122 PolarHBondContact O-N 3.05Å; A118-I151 HydrophobicContact CB-CG1 4.23Å; A118-Y154 HydrophobicContact CB-CD1 3.89Å; A118-Y154 HydrophobicContact CB-CG 4.41Å
119Q94.9Very high93.9Very high34 Ų3466.5 Ų66.516%0.15934%0.336CS..Hα-helixtrans-62.8-44.4176.6-74.4179.2-1600111.7I115 E116 M121 I122 R123 Y154 H161 F165I115-Q119 HydrophobicContact CG2-CG 4.37Å; I115-Q119 WeakPolarHBondContact O-CB 3.28Å; I115-Q119 VanDerWaalsContact O-CG 3.31Å; I115-Q119 WeakPolarHBondContact O-CG 3.32Å; I115-Q119 PolarHBondContact O-N 3.49Å; E116-Q119 PolarHBondContact O-N 3.12Å; Q119-M121 PolarHBondContact O-N 3.48Å; Q119-I122 PolarHBondContact O-N 3.38Å; Q119-R123 WeakPolarHBondContact O-CB 3.49Å; Q119-R123 PolarHBondContact O-N 3.48Å; Q119-Y154 HydrophobicContact CG-CE1 4.11Å; Q119-Y154 PolarHBondContact NE2-OH 3.29Å; Q119-H161 PolarHBondContact NE2-CE1 2.66Å; Q119-F165 HydrophobicContact CB-CD2 4.3Å; Q119-F165 HydrophobicContact CB-CE1 4.31Å; Q119-F165 HydrophobicContact CB-CE2 3.78Å; Q119-F165 HydrophobicContact CB-CZ 3.78Å; Q119-F165 HydrophobicContact CG-CD1 4.15Å; Q119-F165 HydrophobicContact CG-CD2 3.87Å; Q119-F165 HydrophobicContact CG-CE1 4.13Å; Q119-F165 HydrophobicContact CG-CE2 3.86Å; Q119-F165 HydrophobicContact CG-CG 4.01Å; Q119-F165 HydrophobicContact CG-CZ 3.98Å; Q119-F165 VanDerWaalsContact O-CZ 3.32Å; Q119-F165 WeakPolarHBondContact O-CZ 3.44Å
120H95.4Very high94.2Very high55 Ų5568.9 Ų68.926%0.25534%0.338SS..Hα-helixtrans-57.3-50.7174.6178.6-86.3000111.3E116 Y117 I122 R123 E124 D135E116-H120 WeakPolarHBondContact O-CB 3.22Å; E116-H120 PolarHBondContact O-N 3.4Å; Y117-H120 PolarHBondContact O-N 2.92Å; H120-I122 VanDerWaalsContact C-N 3.29Å; H120-I122 PolarHBondContact O-N 3.11Å; H120-R123 PolarHBondContact O-N 2.9Å; H120-E124 PolarHBondContact O-N 2.87Å; H120-D135 IonicContact CE1-OD1 3.79Å; H120-D135 PolarHBondContact CE1-OD1 3.16Å; H120-D135 IonicContact CE1-OD2 3.94Å; H120-D135 IonicContact ND1-OD1 3.86Å
121M95Very high94.5Very high0 Ų068.9 Ų68.90%034%0.342CS..Hα-helixtrans-59.2-40.8-179.7-70.7-63.9164.500112.4Y117 A118 Q119 H125 M132 D135 K137 N138Y117-M121 HydrophobicContact CD1-CG 4.48Å; Y117-M121 HydrophobicContact CD2-CE 4.1Å; Y117-M121 HydrophobicContact CE1-CG 4.11Å; Y117-M121 HydrophobicContact CE2-CE 3.38Å; Y117-M121 HydrophobicContact CE2-CG 4.27Å; Y117-M121 VanDerWaalsContact O-CG 3.27Å; Y117-M121 WeakPolarHBondContact O-CG 3.41Å; Y117-M121 PolarHBondContact O-N 3.39Å; A118-M121 PolarHBondContact O-N 3.21Å; Q119-M121 PolarHBondContact O-N 3.48Å; M121-H125 WeakPolarHBondContact O-CB 3.45Å; M121-H125 PolarHBondContact O-N 3.23Å; M121-M132 HydrophobicContact CB-CE 4.29Å; M121-M132 HydrophobicContact CB-CG 4.09Å; M121-M132 HydrophobicContact CB-SD 3.99Å; M121-M132 WeakPolarHBondContact O-CE 3.25Å; M121-M132 HydrophobicContact SD-CB 3.72Å; M121-M132 HydrophobicContact SD-CG 3.99Å; M121-D135 HydrophobicContact CE-CB 3.84Å; M121-D135 VanDerWaalsContact CE-OD1 3.32Å; M121-D135 WeakPolarHBondContact CE-OD1 3.43Å; M121-D135 HydrophobicContact SD-CB 3.97Å; M121-K137 HydrophobicContact CE-CB 3.99Å; M121-N138 HydrophobicContact CE-CB 4.08Å
122I95Very high94.5Very high16 Ų1665.6 Ų65.68%0.08232%0.319CS..Hα-helixtrans-72.9-37.8179.8-64.9168.3000111.5A118 Q119 H120 K126 I151 Y162 F165 L169A118-I122 WeakPolarHBondContact O-CD1 3.35Å; A118-I122 WeakPolarHBondContact O-CG1 3.41Å; A118-I122 PolarHBondContact O-N 3.05Å; Q119-I122 PolarHBondContact O-N 3.38Å; H120-I122 VanDerWaalsContact C-N 3.29Å; H120-I122 PolarHBondContact O-N 3.11Å; I122-K126 WeakPolarHBondContact O-CA 3.47Å; I122-K126 PolarHBondContact O-N 3.26Å; I122-I151 HydrophobicContact CD1-CD1 4.44Å; I122-I151 HydrophobicContact CD1-CG1 4.3Å; I122-I151 HydrophobicContact CD1-CG2 3.87Å; I122-I151 HydrophobicContact CG1-CD1 4.03Å; I122-I151 HydrophobicContact CG1-CG1 4.39Å; I122-I151 HydrophobicContact CG1-CG2 4.49Å; I122-Y162 HydrophobicContact CD1-CE2 3.84Å; I122-F165 HydrophobicContact CB-CE1 3.96Å; I122-F165 HydrophobicContact CB-CZ 4.38Å; I122-F165 HydrophobicContact CD1-CE1 4.42Å; I122-F165 HydrophobicContact CG2-CE1 3.78Å; I122-F165 HydrophobicContact CG2-CZ 4.41Å; I122-L169 HydrophobicContact CG2-CD1 4.25Å
123R94.5Very high94.6Very high129 Ų12963.7 Ų63.749%0.48731%0.307SS..Hα-helixtrans-61.7-50.2177.7-175.8-177.7-66.9136.4-1.5111.3Q119 H120 F165 L169Q119-R123 WeakPolarHBondContact O-CB 3.49Å; Q119-R123 PolarHBondContact O-N 3.48Å; H120-R123 PolarHBondContact O-N 2.9Å; R123-F165 HydrophobicContact CB-CZ 4.49Å; R123-L169 HydrophobicContact CB-CD2 4.45Å; R123-L169 HydrophobicContact CG-CD2 4.08Å
124E94.6Very high94.7Very high114 Ų11467.9 Ų67.953%0.53331%0.314SS..Hα-helixtrans-78.6-45.7-175.4-61.8-53.6127.100112.5H120H120-E124 PolarHBondContact O-N 2.87Å
125H93.6Very high94.8Very high40 Ų4067.9 Ų67.919%0.18531%0.314CS..Hα-helixtrans-112.8-2.7-167.3-57.9-72.9000114.4M121 D127 N128 A131 M132 D135M121-H125 WeakPolarHBondContact O-CB 3.45Å; M121-H125 PolarHBondContact O-N 3.23Å; H125-D127 PolarHBondContact O-N 3.45Å; H125-D127 VanDerWaalsContact O-N 3.08Å; H125-N128 WeakPolarHBondContact O-CB 3.47Å; H125-N128 PolarHBondContact O-N 3.28Å; H125-A131 HydrophobicContact CB-CB 4.37Å; H125-A131 WeakPolarHBondContact ND1-CB 3.5Å; H125-M132 HydrophobicContact CB-CE 4.11Å; H125-M132 HydrophobicContact CB-CG 3.53Å; H125-D135 IonicContact CD2-OD2 3.73Å; H125-D135 IonicContact CE1-OD2 2.74Å; H125-D135 IonicContact NE2-OD2 3.29Å; H125-D135 PolarHBondContact NE2-OD2 2.97Å
126K90.8Very high94.7Very high153 Ų15376 Ų7667%0.66535%0.352SS*.THydrogen-bonded Turntrans54.3-108-179.9-58.9178-179.3179.10112.5I122 M132I122-K126 WeakPolarHBondContact O-CA 3.47Å; I122-K126 PolarHBondContact O-N 3.26Å; K126-M132 WeakPolarHBondContact O-CE 3.32Å
127D90.6Very high94.6Very high109 Ų10977.1 Ų77.158%0.58336%0.355SS*.THydrogen-bonded Turntrans-106.77.6178-73-41.7000113.3H125 Y129H125-D127 PolarHBondContact O-N 3.45Å; H125-D127 VanDerWaalsContact O-N 3.08Å; D127-Y129 WeakPolarHBondContact O-CD2 3.03Å; D127-Y129 WeakPolarHBondContact O-CE2 3.39Å; D127-Y129 PolarHBondContact O-N 3.15Å
128N95.8Very high94.5Very high111 Ų11176.3 Ų76.359%0.59435%0.352SS*.  trans-84.677.7-177.7-68.2-39.8000112.3H125 K130 A131 M132H125-N128 WeakPolarHBondContact O-CB 3.47Å; H125-N128 PolarHBondContact O-N 3.28Å; N128-K130 PolarHBondContact O-N 3.43Å; N128-K130 VanDerWaalsContact O-N 3.1Å; N128-A131 HydrophobicContact CB-CB 4.02Å; N128-A131 WeakPolarHBondContact O-CB 3.47Å; N128-A131 PolarHBondContact O-N 3.12Å; N128-M132 PolarHBondContact O-N 3.45Å; N128-M132 VanDerWaalsContact O-N 3.08Å
129Y95Very high94.5Very high49 Ų4985 Ų8519%0.19239%0.387CS..Hα-helixtrans-59.8-25.8-178.2-51.7-66.2000114.9D127 A131 M132 A133 K148 I151D127-Y129 WeakPolarHBondContact O-CD2 3.03Å; D127-Y129 WeakPolarHBondContact O-CE2 3.39Å; D127-Y129 PolarHBondContact O-N 3.15Å; Y129-A131 VanDerWaalsContact C-N 3.34Å; Y129-M132 HydrophobicContact CD1-CE 4.23Å; Y129-M132 HydrophobicContact CD1-SD 3.61Å; Y129-M132 HydrophobicContact CE1-CE 4.38Å; Y129-M132 HydrophobicContact CE1-SD 4.21Å; Y129-A133 PolarHBondContact O-N 2.95Å; Y129-K148 HydrophobicContact CD1-CB 3.95Å; Y129-K148 HydrophobicContact CD1-CG 4.49Å; Y129-K148 HydrophobicContact CD2-CB 4.5Å; Y129-K148 HydrophobicContact CD2-CD 4.28Å; Y129-K148 HydrophobicContact CE1-CB 3.93Å; Y129-K148 HydrophobicContact CE1-CG 4.03Å; Y129-K148 HydrophobicContact CE2-CB 4.44Å; Y129-K148 HydrophobicContact CE2-CD 3.82Å; Y129-K148 HydrophobicContact CE2-CG 4.11Å; Y129-K148 HydrophobicContact CG-CB 4.26Å; Y129-I151 HydrophobicContact CD1-CD1 4.43Å; Y129-I151 HydrophobicContact CE1-CD1 4.02Å
130K96Very high94.4Very high159 Ų15992.3 Ų92.369%0.69141%0.414SS*.Hα-helixtrans-71-31.4174.5-70.3-175.3-178.91780112.2N128N128-K130 PolarHBondContact O-N 3.43Å; N128-K130 VanDerWaalsContact O-N 3.1Å
131A95.4Very high94.4Very high32 Ų3297.7 Ų97.726%0.26444%0.439SS..Hα-helixtrans-76.5-42.9175.100000110.2H125 N128 Y129 A133 R134 D135H125-A131 HydrophobicContact CB-CB 4.37Å; H125-A131 WeakPolarHBondContact ND1-CB 3.5Å; N128-A131 HydrophobicContact CB-CB 4.02Å; N128-A131 WeakPolarHBondContact O-CB 3.47Å; N128-A131 PolarHBondContact O-N 3.12Å; Y129-A131 VanDerWaalsContact C-N 3.34Å; A131-A133 PolarHBondContact O-N 3.27Å; A131-R134 CarbonylContact O-C 3.4Å; A131-R134 WeakPolarHBondContact O-CA 3.11Å; A131-R134 PolarHBondContact O-N 3.31Å; A131-D135 PolarHBondContact O-N 3.22Å
132M95.5Very high94.4Very high0 Ų098.5 Ų98.50%044%0.444CS..Hα-helixtrans-54.2-37.5173.5-63.8175.7-17800113.3M121 H125 K126 N128 Y129 R134 D135 I147 I151M121-M132 HydrophobicContact CB-CE 4.29Å; M121-M132 HydrophobicContact CB-CG 4.09Å; M121-M132 HydrophobicContact CB-SD 3.99Å; M121-M132 WeakPolarHBondContact O-CE 3.25Å; M121-M132 HydrophobicContact SD-CB 3.72Å; M121-M132 HydrophobicContact SD-CG 3.99Å; H125-M132 HydrophobicContact CB-CE 4.11Å; H125-M132 HydrophobicContact CB-CG 3.53Å; K126-M132 WeakPolarHBondContact O-CE 3.32Å; N128-M132 PolarHBondContact O-N 3.45Å; N128-M132 VanDerWaalsContact O-N 3.08Å; Y129-M132 HydrophobicContact CD1-CE 4.23Å; Y129-M132 HydrophobicContact CD1-SD 3.61Å; Y129-M132 HydrophobicContact CE1-CE 4.38Å; Y129-M132 HydrophobicContact CE1-SD 4.21Å; M132-R134 PolarHBondContact O-N 2.89Å; M132-D135 VanDerWaalsContact O-CB 3.24Å; M132-D135 WeakPolarHBondContact O-CB 3.32Å; M132-D135 PolarHBondContact O-N 3.19Å; M132-I147 HydrophobicContact CB-CD1 3.84Å; M132-I147 HydrophobicContact CB-CG2 4.06Å; M132-I147 HydrophobicContact CG-CG2 4.47Å; M132-I147 HydrophobicContact SD-CG2 3.62Å; M132-I151 HydrophobicContact CE-CD1 3.95Å; M132-I151 HydrophobicContact SD-CD1 3.74Å
133A96.1Very high94.5Very high29 Ų29101 Ų10124%0.2446%0.459CS..THydrogen-bonded Turntrans-67.7-24.2178.500000113.3Y129 A131 N138 P144 I147Y129-A133 PolarHBondContact O-N 2.95Å; A131-A133 PolarHBondContact O-N 3.27Å; A133-N138 WeakPolarHBondContact CA-ND2 3.47Å; A133-N138 PolarHBondContact O-ND2 2.88Å; A133-P144 HydrophobicContact CB-CG 3.77Å; A133-I147 HydrophobicContact CB-CD1 4.11Å
134R95.2Very high94.7Very high211 Ų21197.2 Ų97.280%0.79645%0.451SS*.THydrogen-bonded Turntrans-94.4-2.5177.9-63-175.8177.4123-7.3113.1A131 M132A131-R134 CarbonylContact O-C 3.4Å; A131-R134 WeakPolarHBondContact O-CA 3.11Å; A131-R134 PolarHBondContact O-N 3.31Å; M132-R134 PolarHBondContact O-N 2.89Å
135D96.1Very high94.8Very high29 Ų29100.3 Ų100.316%0.15546%0.463CS..SBendtrans-69.1145.6-179.4-174.1-95.6000111.4H120 M121 H125 A131 M132 K137 N138H120-D135 IonicContact CE1-OD1 3.79Å; H120-D135 PolarHBondContact CE1-OD1 3.16Å; H120-D135 IonicContact CE1-OD2 3.94Å; H120-D135 IonicContact ND1-OD1 3.86Å; M121-D135 HydrophobicContact CE-CB 3.84Å; M121-D135 VanDerWaalsContact CE-OD1 3.32Å; M121-D135 WeakPolarHBondContact CE-OD1 3.43Å; M121-D135 HydrophobicContact SD-CB 3.97Å; H125-D135 IonicContact CD2-OD2 3.73Å; H125-D135 IonicContact CE1-OD2 2.74Å; H125-D135 IonicContact NE2-OD2 3.29Å; H125-D135 PolarHBondContact NE2-OD2 2.97Å; A131-D135 PolarHBondContact O-N 3.22Å; M132-D135 VanDerWaalsContact O-CB 3.24Å; M132-D135 WeakPolarHBondContact O-CB 3.32Å; M132-D135 PolarHBondContact O-N 3.19Å; D135-K137 VanDerWaalsContact C-N 3.26Å; D135-K137 PolarHBondContact O-N 2.8Å; D135-K137 WeakPolarHBondContact OD1-CA 3.45Å; D135-K137 WeakPolarHBondContact OD1-CB 3.31Å; D135-K137 PolarHBondContact OD1-N 2.83Å; D135-N138 VanDerWaalsContact O-CB 3.25Å; D135-N138 WeakPolarHBondContact O-CB 3.24Å; D135-N138 PolarHBondContact O-N 2.77Å; D135-N138 VanDerWaalsContact O-N 3.08Å
136E93.5Very high94.9Very high192 Ų192102.9 Ų102.990%0.89748%0.475SS*.THydrogen-bonded Turntrans-65.1-30.9-177.8-61.7-178.1176.300112.5N138E136-N138 PolarHBondContact O-N 3.43Å
137K92.3Very high95.2Very high132 Ų13295.6 Ų95.657%0.57444%0.444SS*.THydrogen-bonded Turntrans-72.9-12178.1-158.469.1176.2-177.30112M121 D135 Y139M121-K137 HydrophobicContact CE-CB 3.99Å; D135-K137 VanDerWaalsContact C-N 3.26Å; D135-K137 PolarHBondContact O-N 2.8Å; D135-K137 WeakPolarHBondContact OD1-CA 3.45Å; D135-K137 WeakPolarHBondContact OD1-CB 3.31Å; D135-K137 PolarHBondContact OD1-N 2.83Å; K137-Y139 PolarHBondContact O-N 3.28Å
138N95.1Very high95.4Very high9 Ų995 Ų955%0.04844%0.436CS..  trans-76.657.4171.1-169.128000112.4Y117 M121 A133 D135 E136 Y140 Q141 D142Y117-N138 PolarHBondContact OH-OD1 3.12Å; M121-N138 HydrophobicContact CE-CB 4.08Å; A133-N138 WeakPolarHBondContact CA-ND2 3.47Å; A133-N138 PolarHBondContact O-ND2 2.88Å; D135-N138 VanDerWaalsContact O-CB 3.25Å; D135-N138 WeakPolarHBondContact O-CB 3.24Å; D135-N138 PolarHBondContact O-N 2.77Å; D135-N138 VanDerWaalsContact O-N 3.08Å; E136-N138 PolarHBondContact O-N 3.43Å; N138-Y140 VanDerWaalsContact C-N 3.3Å; N138-Y140 PolarHBondContact O-N 3.43Å; N138-Q141 PolarHBondContact O-N 3.03Å; N138-D142 PolarHBondContact ND2-N 3.37Å; N138-D142 VanDerWaalsContact ND2-N 3.16Å; N138-D142 PolarHBondContact ND2-O 3.44Å; N138-D142 WeakPolarHBondContact OD1-CB 3.24Å; N138-D142 PolarHBondContact OD1-N 3.36Å
139Y93.8Very high95.5Very high183 Ų18397.8 Ų97.872%0.71844%0.438SS*.THydrogen-bonded Turntrans-55.6-41.2-174.9178.4-100.8000113.6K137 Q141K137-Y139 PolarHBondContact O-N 3.28Å; Y139-Q141 PolarHBondContact O-N 2.97Å
140Y93.3Very high95.5Very high187 Ų18797.8 Ų97.873%0.73344%0.439SS*.THydrogen-bonded Turntrans-82.66.8180-63.4-68.9000113.8N138 D142N138-Y140 VanDerWaalsContact C-N 3.3Å; N138-Y140 PolarHBondContact O-N 3.43Å; Y140-D142 VanDerWaalsContact C-N 3.31Å; Y140-D142 PolarHBondContact O-N 3.07Å
141Q94.9Very high95.4Very high167 Ų16790.3 Ų90.378%0.7841%0.407SS*.  trans57.143.4175.3-54.2176.2-11.200112.3N138 Y139 T143N138-Q141 PolarHBondContact O-N 3.03Å; Y139-Q141 PolarHBondContact O-N 2.97Å; Q141-T143 PolarHBondContact O-N 3.03Å
142D95.9Very high95.4Very high18 Ų1892.3 Ų92.310%0.09641%0.413CS..  trans-59.7136.3177.4-71.5-60.5000110.7N138 Y140 Q146 I147 K150N138-D142 PolarHBondContact ND2-N 3.37Å; N138-D142 VanDerWaalsContact ND2-N 3.16Å; N138-D142 PolarHBondContact ND2-O 3.44Å; N138-D142 WeakPolarHBondContact OD1-CB 3.24Å; N138-D142 PolarHBondContact OD1-N 3.36Å; Y140-D142 VanDerWaalsContact C-N 3.31Å; Y140-D142 PolarHBondContact O-N 3.07Å; D142-Q146 HydrophobicContact CB-CB 4.12Å; D142-I147 HydrophobicContact CB-CD1 4.18Å; D142-I147 HydrophobicContact CB-CG1 3.57Å; D142-K150 VanDerWaalsContact CG-NZ 3.29Å; D142-K150 IonicContact OD1-NZ 3.9Å; D142-K150 PolarHBondContact OD1-NZ 2.78Å; D142-K150 IonicContact OD2-NZ 3.82Å; D142-K150 PolarHBondContact OD2-NZ 2.96Å
143T97.1Very high95.4Very high68 Ų6895.3 Ų95.342%0.41743%0.427SS..  trans-67.1154.3173.163.60000110.5Q141 K145 Q146 I147Q141-T143 PolarHBondContact O-N 3.03Å; T143-K145 PolarHBondContact O-N 3.34Å; T143-Q146 WeakPolarHBondContact O-CA 3.25Å; T143-Q146 WeakPolarHBondContact O-CB 3.38Å; T143-Q146 PolarHBondContact O-N 3.1Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.24Å; T143-Q146 PolarHBondContact OG1-N 3.37Å; T143-Q146 PolarHBondContact OG1-OE1 3.28Å; T143-I147 PolarHBondContact O-N 2.85Å
144P97.1Very high95.3Very high49 Ų4994 Ų9432%0.31842%0.416SS..Hα-helixtrans-50.8-33.8177.6-29.234.5000114A133 K148A133-P144 HydrophobicContact CB-CG 3.77Å; P144-K148 WeakPolarHBondContact O-CB 3.39Å; P144-K148 PolarHBondContact O-N 3.34Å
145K97.4Very high95.2Very high180 Ų18087 Ų8778%0.78339%0.391SS*.Hα-helixtrans-72.2-37.2178.1-169.1176.2-178178.60112.5T143 R149T143-K145 PolarHBondContact O-N 3.34Å; K145-R149 WeakPolarHBondContact O-CB 3.32Å; K145-R149 PolarHBondContact O-N 2.85Å
146Q96.5Very high95.1Very high94 Ų9493.4 Ų93.444%0.43941%0.413SS..Hα-helixtrans-68.3-43.6174.9-74.9162.9-48.400110.9D142 T143 K148 R149 K150D142-Q146 HydrophobicContact CB-CB 4.12Å; T143-Q146 WeakPolarHBondContact O-CA 3.25Å; T143-Q146 WeakPolarHBondContact O-CB 3.38Å; T143-Q146 PolarHBondContact O-N 3.1Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.24Å; T143-Q146 PolarHBondContact OG1-N 3.37Å; T143-Q146 PolarHBondContact OG1-OE1 3.28Å; Q146-K148 VanDerWaalsContact C-N 3.35Å; Q146-K148 PolarHBondContact O-N 3.43Å; Q146-R149 WeakPolarHBondContact O-CA 3.42Å; Q146-R149 WeakPolarHBondContact O-CB 3.36Å; Q146-R149 PolarHBondContact O-N 2.91Å; Q146-R149 VanDerWaalsContact O-N 3.08Å; Q146-K150 WeakPolarHBondContact O-CG 3.42Å; Q146-K150 PolarHBondContact O-N 3.49Å
147I95.8Very high95Very high0 Ų085.9 Ų85.90%038%0.382CS..Hα-helixtrans-60-46.7175.8-58.2179.5000110.5Y117 M132 A133 D142 T143 R149 K150 I151Y117-I147 WeakPolarHBondContact OH-CG1 3.31Å; M132-I147 HydrophobicContact CB-CD1 3.84Å; M132-I147 HydrophobicContact CB-CG2 4.06Å; M132-I147 HydrophobicContact CG-CG2 4.47Å; M132-I147 HydrophobicContact SD-CG2 3.62Å; A133-I147 HydrophobicContact CB-CD1 4.11Å; D142-I147 HydrophobicContact CB-CD1 4.18Å; D142-I147 HydrophobicContact CB-CG1 3.57Å; T143-I147 PolarHBondContact O-N 2.85Å; I147-R149 VanDerWaalsContact C-N 3.27Å; I147-R149 PolarHBondContact O-N 3.29Å; I147-K150 PolarHBondContact O-N 3.44Å; I147-K150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.97Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.38Å
148K96.3Very high95Very high96 Ų9682 Ų8242%0.41737%0.365SS..Hα-helixtrans-56.7-41.5174.2-176.2174.1-174.41740112.1Y129 P144 Q146 I151 N152Y129-K148 HydrophobicContact CD1-CB 3.95Å; Y129-K148 HydrophobicContact CD1-CG 4.49Å; Y129-K148 HydrophobicContact CD2-CB 4.5Å; Y129-K148 HydrophobicContact CD2-CD 4.28Å; Y129-K148 HydrophobicContact CE1-CB 3.93Å; Y129-K148 HydrophobicContact CE1-CG 4.03Å; Y129-K148 HydrophobicContact CE2-CB 4.44Å; Y129-K148 HydrophobicContact CE2-CD 3.82Å; Y129-K148 HydrophobicContact CE2-CG 4.11Å; Y129-K148 HydrophobicContact CG-CB 4.26Å; P144-K148 WeakPolarHBondContact O-CB 3.39Å; P144-K148 PolarHBondContact O-N 3.34Å; Q146-K148 VanDerWaalsContact C-N 3.35Å; Q146-K148 PolarHBondContact O-N 3.43Å; K148-I151 PolarHBondContact O-N 2.79Å; K148-N152 WeakPolarHBondContact O-CB 3.46Å; K148-N152 PolarHBondContact O-N 2.7Å; K148-N152 PolarHBondContact O-ND2 3.31Å
149R96.3Very high94.9Very high169 Ų16984.6 Ų84.664%0.63838%0.382SS*.Hα-helixtrans-64.3-44.7176.8-177.4179.5170.1173.40.5111.6K145 Q146 I147 I151 N152 E153K145-R149 WeakPolarHBondContact O-CB 3.32Å; K145-R149 PolarHBondContact O-N 2.85Å; Q146-R149 WeakPolarHBondContact O-CA 3.42Å; Q146-R149 WeakPolarHBondContact O-CB 3.36Å; Q146-R149 PolarHBondContact O-N 2.91Å; Q146-R149 VanDerWaalsContact O-N 3.08Å; I147-R149 VanDerWaalsContact C-N 3.27Å; I147-R149 PolarHBondContact O-N 3.29Å; R149-I151 VanDerWaalsContact C-N 3.35Å; R149-I151 PolarHBondContact O-N 3.03Å; R149-N152 PolarHBondContact O-N 2.98Å; R149-E153 HydrophobicContact CG-CG 4.47Å; R149-E153 IonicContact CZ-OE1 3.39Å; R149-E153 IonicContact NE-OE1 3.66Å; R149-E153 PolarHBondContact NE-OE1 3.47Å; R149-E153 IonicContact NH2-OE1 3.76Å; R149-E153 PolarHBondContact NH2-OE1 2.87Å; R149-E153 WeakPolarHBondContact O-CB 3.49Å; R149-E153 WeakPolarHBondContact O-CG 3.44Å; R149-E153 PolarHBondContact O-N 2.94Å
150K95.3Very high94.9Very high49 Ų4983.6 Ų83.621%0.21338%0.384CS..Hα-helixtrans-59.6-44.2176.5-71.4178.2174.1-171.30111.8L114 Y117 D142 Q146 I147 E153 Y154L114-K150 HydrophobicContact CD1-CB 4.09Å; L114-K150 HydrophobicContact CD1-CD 3.74Å; L114-K150 HydrophobicContact CD1-CG 3.95Å; Y117-K150 HydrophobicContact CE1-CD 4.06Å; D142-K150 VanDerWaalsContact CG-NZ 3.29Å; D142-K150 IonicContact OD1-NZ 3.9Å; D142-K150 PolarHBondContact OD1-NZ 2.78Å; D142-K150 IonicContact OD2-NZ 3.82Å; D142-K150 PolarHBondContact OD2-NZ 2.96Å; Q146-K150 WeakPolarHBondContact O-CG 3.42Å; Q146-K150 PolarHBondContact O-N 3.49Å; I147-K150 PolarHBondContact O-N 3.44Å; I147-K150 VanDerWaalsContact O-N 3.15Å; K150-E153 PolarHBondContact O-N 3.04Å; K150-Y154 PolarHBondContact O-N 3.22Å
151I95.3Very high95Very high3 Ų378.9 Ų78.92%0.01537%0.369CS..Hα-helixtrans-63.7-42.1175.5-69.1168.1000111.2A118 I122 Y129 M132 I147 K148 R149 Y154 K155A118-I151 HydrophobicContact CB-CG1 4.23Å; I122-I151 HydrophobicContact CD1-CD1 4.44Å; I122-I151 HydrophobicContact CD1-CG1 4.3Å; I122-I151 HydrophobicContact CD1-CG2 3.87Å; I122-I151 HydrophobicContact CG1-CD1 4.03Å; I122-I151 HydrophobicContact CG1-CG1 4.39Å; I122-I151 HydrophobicContact CG1-CG2 4.49Å; Y129-I151 HydrophobicContact CD1-CD1 4.43Å; Y129-I151 HydrophobicContact CE1-CD1 4.02Å; M132-I151 HydrophobicContact CE-CD1 3.95Å; M132-I151 HydrophobicContact SD-CD1 3.74Å; I147-I151 HydrophobicContact CG2-CD1 3.97Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.38Å; K148-I151 PolarHBondContact O-N 2.79Å; R149-I151 VanDerWaalsContact C-N 3.35Å; R149-I151 PolarHBondContact O-N 3.03Å; I151-Y154 WeakPolarHBondContact O-CB 3.38Å; I151-Y154 PolarHBondContact O-N 3.09Å; I151-K155 HydrophobicContact CG2-CD 4.43Å; I151-K155 WeakPolarHBondContact O-CG 3.43Å; I151-K155 PolarHBondContact O-N 2.7Å
152N95.1Very high94.9Very high73 Ų7373 Ų7339%0.3934%0.34SS..Hα-helixtrans-67.3-36.3177-72.7-12.6000112.6K148 R149 Y154 K155 R156K148-N152 WeakPolarHBondContact O-CB 3.46Å; K148-N152 PolarHBondContact O-N 2.7Å; K148-N152 PolarHBondContact O-ND2 3.31Å; R149-N152 PolarHBondContact O-N 2.98Å; N152-Y154 VanDerWaalsContact C-N 3.31Å; N152-K155 PolarHBondContact O-N 3.44Å; N152-R156 WeakPolarHBondContact O-CB 3.32Å; N152-R156 PolarHBondContact O-N 3.39Å
153E94.5Very high94.9Very high64 Ų6477.8 Ų77.830%0.29936%0.361SS..Hα-helixtrans-62.2-41.8172-76.6171.8-173.700110.1L110 R149 K150 R156 C157L110-E153 HydrophobicContact CD1-CB 4.4Å; L110-E153 HydrophobicContact CD2-CB 4.35Å; R149-E153 HydrophobicContact CG-CG 4.47Å; R149-E153 IonicContact CZ-OE1 3.39Å; R149-E153 IonicContact NE-OE1 3.66Å; R149-E153 PolarHBondContact NE-OE1 3.47Å; R149-E153 IonicContact NH2-OE1 3.76Å; R149-E153 PolarHBondContact NH2-OE1 2.87Å; R149-E153 WeakPolarHBondContact O-CB 3.49Å; R149-E153 WeakPolarHBondContact O-CG 3.44Å; R149-E153 PolarHBondContact O-N 2.94Å; K150-E153 PolarHBondContact O-N 3.04Å; E153-R156 PolarHBondContact O-N 3.22Å; E153-C157 WeakPolarHBondContact O-CB 3.42Å; E153-C157 PolarHBondContact O-N 3.45Å
154Y94.7Very high94.8Very high0 Ų077.3 Ų77.30%036%0.364CS..Hα-helixtrans-60.1-47.5174.2173-138.9000112.7I115 A118 Q119 K150 I151 N152 R156 C157 H158 H161 Y162I115-Y154 HydrophobicContact CB-CE2 4.49Å; I115-Y154 HydrophobicContact CG1-CD2 4.04Å; I115-Y154 HydrophobicContact CG1-CE2 4.19Å; I115-Y154 HydrophobicContact CG2-CD2 4.3Å; I115-Y154 HydrophobicContact CG2-CE2 3.75Å; A118-Y154 HydrophobicContact CB-CD1 3.89Å; A118-Y154 HydrophobicContact CB-CG 4.41Å; Q119-Y154 HydrophobicContact CG-CE1 4.11Å; Q119-Y154 PolarHBondContact NE2-OH 3.29Å; K150-Y154 PolarHBondContact O-N 3.22Å; I151-Y154 WeakPolarHBondContact O-CB 3.38Å; I151-Y154 PolarHBondContact O-N 3.09Å; N152-Y154 VanDerWaalsContact C-N 3.31Å; Y154-R156 VanDerWaalsContact C-N 3.3Å; Y154-R156 PolarHBondContact O-N 3.43Å; Y154-C157 PolarHBondContact O-N 2.87Å; Y154-H158 HydrophobicContact CD2-CB 4.07Å; Y154-H158 HydrophobicContact CE2-CB 3.93Å; Y154-H158 PolarHBondContact O-N 3.39Å; Y154-H161 HydrophobicContact CE2-CB 4.44Å; Y154-H161 AromaticContact CE2-ND1 3.56Å; Y154-H161 AromaticContact CZ-ND1 3.63Å; Y154-H161 PolarHBondContact OH-ND1 3.08Å; Y154-H161 PolarHBondContact OH-O 3.49Å; Y154-Y162 AromaticContact CD1-CD2 3.8Å; Y154-Y162 HydrophobicContact CD1-CD2 3.8Å; Y154-Y162 AromaticContact CE1-CD2 3.54Å; Y154-Y162 HydrophobicContact CE1-CD2 3.54Å; Y154-Y162 HydrophobicContact CE1-CE2 4.42Å; Y154-Y162 HydrophobicContact CE1-CG 4.39Å; Y154-Y162 WeakPolarHBondContact OH-CA 3.41Å; Y154-Y162 PolarHBondContact OH-N 3.14Å
155K93.4Very high94.7Very high66 Ų6675.5 Ų75.529%0.28735%0.352SS..Hα-helixtrans-58.2-40.5175-68.8174-179.3-170.50112.6I151 N152 Y162I151-K155 HydrophobicContact CG2-CD 4.43Å; I151-K155 WeakPolarHBondContact O-CG 3.43Å; I151-K155 PolarHBondContact O-N 2.7Å; N152-K155 PolarHBondContact O-N 3.44Å; K155-Y162 HydrophobicContact CD-CE1 4.37Å; K155-Y162 HydrophobicContact CD-CE2 4.34Å; K155-Y162 WeakPolarHBondContact CE-OH 3.43Å; K155-Y162 HydrophobicContact CG-CD1 4.06Å; K155-Y162 HydrophobicContact CG-CD2 3.81Å; K155-Y162 HydrophobicContact CG-CE1 4.07Å; K155-Y162 HydrophobicContact CG-CE2 3.81Å; K155-Y162 HydrophobicContact CG-CG 3.96Å; K155-Y162 PolarHBondContact NZ-OH 2.87Å
156R92.7Very high94.5Very high163 Ų16369.4 Ų69.462%0.61533%0.33SS*.Hα-helixtrans-72.7-45.3-178.6-178.9-178.9172.8173.71.8112.3D106 N152 E153 Y154D106-R156 IonicContact OD1-NH2 3.47Å; D106-R156 IonicContact OD2-CZ 2.6Å; D106-R156 IonicContact OD2-NE 2.85Å; D106-R156 IonicContact OD2-NH2 3.59Å; D106-R156 PolarHBondContact OD2-NH2 2.9Å; N152-R156 WeakPolarHBondContact O-CB 3.32Å; N152-R156 PolarHBondContact O-N 3.39Å; E153-R156 PolarHBondContact O-N 3.22Å; Y154-R156 VanDerWaalsContact C-N 3.3Å; Y154-R156 PolarHBondContact O-N 3.43Å
157C92.4Very high94.3Very high34 Ų3470.1 Ų70.123%0.2334%0.336CS..Hα-helixtrans-76.9-37.3-175-74.70000112.6K108 L110 E153 Y154K108-C157 PolarHBondContact O-SG 3.43Å; L110-C157 HydrophobicContact CD1-CB 4.17Å; L110-C157 HydrophobicContact CG-CB 3.95Å; E153-C157 WeakPolarHBondContact O-CB 3.42Å; E153-C157 PolarHBondContact O-N 3.45Å; Y154-C157 PolarHBondContact O-N 2.87Å
158H92.4Very high94.2Very high50 Ų5073.9 Ų73.923%0.23136%0.362CS..  trans-13364.3-172.8-61.9-66.7000112.2Y154 Q160 H161 Y162Y154-H158 HydrophobicContact CD2-CB 4.07Å; Y154-H158 HydrophobicContact CE2-CB 3.93Å; Y154-H158 PolarHBondContact O-N 3.39Å; H158-Q160 PolarHBondContact O-N 3.39Å; H158-H161 HydrophobicContact CB-CB 3.99Å; H158-H161 PolarHBondContact O-N 3.44Å; H158-Y162 WeakPolarHBondContact O-CB 3.48Å; H158-Y162 PolarHBondContact O-N 3.32Å
159P93.1Very high93.8Very high63 Ų6373 Ų7341%0.40936%0.362SS..Hα-helixtrans-61.2-44.6-174.923.4-33.3000112.6H161 Y162 E163P159-H161 PolarHBondContact O-N 3.02Å; P159-Y162 PolarHBondContact O-N 2.88Å; P159-E163 WeakPolarHBondContact O-CG 3.27Å; P159-E163 PolarHBondContact O-N 2.97Å
160Q93.9Very high93.1Very high162 Ų16268.5 Ų68.576%0.75736%0.361SS*.Hα-helixtrans-62.4-41.6179.5-64.8175-4.100112.2H158 A164H158-Q160 PolarHBondContact O-N 3.39Å; Q160-A164 WeakPolarHBondContact O-CB 3.26Å; Q160-A164 PolarHBondContact O-N 3.28Å
161H94.1Very high91.9Very high89 Ų8969.1 Ų69.141%0.41238%0.375SS..Hα-helixtrans-67.7-39.9177.7-170.3-117.5000111.3Q119 Y154 H158 P159 F165Q119-H161 PolarHBondContact NE2-CE1 2.66Å; Y154-H161 HydrophobicContact CE2-CB 4.44Å; Y154-H161 AromaticContact CE2-ND1 3.56Å; Y154-H161 AromaticContact CZ-ND1 3.63Å; Y154-H161 PolarHBondContact OH-ND1 3.08Å; Y154-H161 PolarHBondContact OH-O 3.49Å; H158-H161 HydrophobicContact CB-CB 3.99Å; H158-H161 PolarHBondContact O-N 3.44Å; P159-H161 PolarHBondContact O-N 3.02Å; H161-F165 WeakPolarHBondContact O-CB 3.37Å; H161-F165 PolarHBondContact O-N 3.35Å
162Y94.2Very high90.1Very high44 Ų4474.4 Ų74.417%0.17341%0.41CS..Hα-helixtrans-63.5-45.9176178.3-94.1000111.9I122 Y154 K155 H158 P159 F165 V166I122-Y162 HydrophobicContact CD1-CE2 3.84Å; Y154-Y162 AromaticContact CD1-CD2 3.8Å; Y154-Y162 HydrophobicContact CD1-CD2 3.8Å; Y154-Y162 AromaticContact CE1-CD2 3.54Å; Y154-Y162 HydrophobicContact CE1-CD2 3.54Å; Y154-Y162 HydrophobicContact CE1-CE2 4.42Å; Y154-Y162 HydrophobicContact CE1-CG 4.39Å; Y154-Y162 WeakPolarHBondContact OH-CA 3.41Å; Y154-Y162 PolarHBondContact OH-N 3.14Å; K155-Y162 HydrophobicContact CD-CE1 4.37Å; K155-Y162 HydrophobicContact CD-CE2 4.34Å; K155-Y162 WeakPolarHBondContact CE-OH 3.43Å; K155-Y162 HydrophobicContact CG-CD1 4.06Å; K155-Y162 HydrophobicContact CG-CD2 3.81Å; K155-Y162 HydrophobicContact CG-CE1 4.07Å; K155-Y162 HydrophobicContact CG-CE2 3.81Å; K155-Y162 HydrophobicContact CG-CG 3.96Å; K155-Y162 PolarHBondContact NZ-OH 2.87Å; H158-Y162 WeakPolarHBondContact O-CB 3.48Å; H158-Y162 PolarHBondContact O-N 3.32Å; P159-Y162 PolarHBondContact O-N 2.88Å; Y162-F165 WeakPolarHBondContact O-CB 3.43Å; Y162-F165 PolarHBondContact O-N 2.83Å; Y162-V166 HydrophobicContact CD1-CG2 4.08Å; Y162-V166 HydrophobicContact CE1-CG2 3.49Å; Y162-V166 VanDerWaalsContact CE1-CG2 3.49Å; Y162-V166 HydrophobicContact CE2-CG2 4.03Å; Y162-V166 VanDerWaalsContact CZ-CG2 3.42Å; Y162-V166 WeakPolarHBondContact O-CG2 3.17Å; Y162-V166 PolarHBondContact O-N 3Å
163E94.9Very high88.2Confident117 Ų11779.8 Ų79.855%0.54743%0.432SS..Hα-helixtrans-61-45.3177.4-74.3172.8-173.900111.8P159 F165 V166 N167P159-E163 WeakPolarHBondContact O-CG 3.27Å; P159-E163 PolarHBondContact O-N 2.97Å; E163-F165 VanDerWaalsContact C-N 3.31Å; E163-F165 PolarHBondContact O-N 3.08Å; E163-V166 PolarHBondContact O-N 2.72Å; E163-N167 WeakPolarHBondContact O-CB 3.5Å; E163-N167 PolarHBondContact O-N 2.86Å; E163-N167 PolarHBondContact O-ND2 3.12Å
164A95.4Very high86.2Confident58 Ų5881.3 Ų81.348%0.47946%0.456SS..Hα-helixtrans-58.8-42.9175.300000112.1Q160 N167 S168Q160-A164 WeakPolarHBondContact O-CB 3.26Å; Q160-A164 PolarHBondContact O-N 3.28Å; A164-N167 PolarHBondContact O-N 3.23Å; A164-S168 PolarHBondContact O-N 2.8Å
165F94.5Very high84.2Confident12 Ų1288.4 Ų88.45%0.05349%0.491CS..Hα-helixtrans-63.5-46.7176169-106.6000112.1Q119 I122 R123 H161 Y162 E163 N167 S168 L169Q119-F165 HydrophobicContact CB-CD2 4.3Å; Q119-F165 HydrophobicContact CB-CE1 4.31Å; Q119-F165 HydrophobicContact CB-CE2 3.78Å; Q119-F165 HydrophobicContact CB-CZ 3.78Å; Q119-F165 HydrophobicContact CG-CD1 4.15Å; Q119-F165 HydrophobicContact CG-CD2 3.87Å; Q119-F165 HydrophobicContact CG-CE1 4.13Å; Q119-F165 HydrophobicContact CG-CE2 3.86Å; Q119-F165 HydrophobicContact CG-CG 4.01Å; Q119-F165 HydrophobicContact CG-CZ 3.98Å; Q119-F165 VanDerWaalsContact O-CZ 3.32Å; Q119-F165 WeakPolarHBondContact O-CZ 3.44Å; I122-F165 HydrophobicContact CB-CE1 3.96Å; I122-F165 HydrophobicContact CB-CZ 4.38Å; I122-F165 HydrophobicContact CD1-CE1 4.42Å; I122-F165 HydrophobicContact CG2-CE1 3.78Å; I122-F165 HydrophobicContact CG2-CZ 4.41Å; R123-F165 HydrophobicContact CB-CZ 4.49Å; H161-F165 WeakPolarHBondContact O-CB 3.37Å; H161-F165 PolarHBondContact O-N 3.35Å; Y162-F165 WeakPolarHBondContact O-CB 3.43Å; Y162-F165 PolarHBondContact O-N 2.83Å; E163-F165 VanDerWaalsContact C-N 3.31Å; E163-F165 PolarHBondContact O-N 3.08Å; F165-N167 VanDerWaalsContact C-N 3.31Å; F165-N167 PolarHBondContact O-N 3.01Å; F165-S168 PolarHBondContact O-N 3Å; F165-S168 VanDerWaalsContact O-N 3.16Å; F165-S168 PolarHBondContact O-OG 3.17Å; F165-L169 HydrophobicContact CD1-CD1 4.32Å; F165-L169 HydrophobicContact CE1-CD1 3.61Å; F165-L169 HydrophobicContact CE1-CG 4.44Å; F165-L169 HydrophobicContact CE2-CD1 4.07Å; F165-L169 HydrophobicContact CE2-CD2 4.37Å; F165-L169 HydrophobicContact CE2-CG 4.15Å; F165-L169 HydrophobicContact CZ-CD1 3.47Å; F165-L169 VanDerWaalsContact CZ-CD1 3.47Å; F165-L169 HydrophobicContact CZ-CD2 4.42Å; F165-L169 HydrophobicContact CZ-CG 4.06Å; F165-L169 PolarHBondContact O-N 3.2Å
166V93Very high81.9Confident52 Ų5292.8 Ų92.832%0.31552%0.517SS..Hα-helixtrans-62.6-40.3177.1173.20000111.1Y162 E163 S168 L169 A170Y162-V166 HydrophobicContact CD1-CG2 4.08Å; Y162-V166 HydrophobicContact CE1-CG2 3.49Å; Y162-V166 VanDerWaalsContact CE1-CG2 3.49Å; Y162-V166 HydrophobicContact CE2-CG2 4.03Å; Y162-V166 VanDerWaalsContact CZ-CG2 3.42Å; Y162-V166 WeakPolarHBondContact O-CG2 3.17Å; Y162-V166 PolarHBondContact O-N 3Å; E163-V166 PolarHBondContact O-N 2.72Å; V166-S168 VanDerWaalsContact C-N 3.32Å; V166-S168 PolarHBondContact O-N 2.73Å; V166-L169 PolarHBondContact O-N 2.67Å; V166-L169 VanDerWaalsContact O-N 3.17Å; V166-A170 WeakPolarHBondContact O-CB 3.3Å; V166-A170 PolarHBondContact O-N 3.23Å
167N93.8Very high79.3Confident109 Ų10998.2 Ų98.258%0.58355%0.549SS*.Hα-helixtrans-62.3-39.4175.1-68.2-18.4000111.7E163 A164 F165 L169 A170 A171E163-N167 WeakPolarHBondContact O-CB 3.5Å; E163-N167 PolarHBondContact O-N 2.86Å; E163-N167 PolarHBondContact O-ND2 3.12Å; A164-N167 PolarHBondContact O-N 3.23Å; F165-N167 VanDerWaalsContact C-N 3.31Å; F165-N167 PolarHBondContact O-N 3.01Å; N167-L169 VanDerWaalsContact C-N 3.29Å; N167-L169 PolarHBondContact O-N 2.92Å; N167-A170 PolarHBondContact O-N 3.38Å; N167-A171 PolarHBondContact O-N 3.26Å
168S92.4Very high78.6Confident78 Ų78101.4 Ų101.455%0.54557%0.565SS.*Hα-helixtrans-66-29.917571.60000113.5A164 F165 V166A164-S168 PolarHBondContact O-N 2.8Å; F165-S168 PolarHBondContact O-N 3Å; F165-S168 VanDerWaalsContact O-N 3.16Å; F165-S168 PolarHBondContact O-OG 3.17Å; V166-S168 VanDerWaalsContact C-N 3.32Å; V166-S168 PolarHBondContact O-N 2.73Å
169L88.5Confident77.9Confident79 Ų79104.1 Ų104.141%0.41458%0.583SS.*Hα-helixtrans-78.1-30173.9-69.4179.7000112.5I122 R123 F165 V166 N167I122-L169 HydrophobicContact CG2-CD1 4.25Å; R123-L169 HydrophobicContact CB-CD2 4.45Å; R123-L169 HydrophobicContact CG-CD2 4.08Å; F165-L169 HydrophobicContact CD1-CD1 4.32Å; F165-L169 HydrophobicContact CE1-CD1 3.61Å; F165-L169 HydrophobicContact CE1-CG 4.44Å; F165-L169 HydrophobicContact CE2-CD1 4.07Å; F165-L169 HydrophobicContact CE2-CD2 4.37Å; F165-L169 HydrophobicContact CE2-CG 4.15Å; F165-L169 HydrophobicContact CZ-CD1 3.47Å; F165-L169 VanDerWaalsContact CZ-CD1 3.47Å; F165-L169 HydrophobicContact CZ-CD2 4.42Å; F165-L169 HydrophobicContact CZ-CG 4.06Å; F165-L169 PolarHBondContact O-N 3.2Å; V166-L169 PolarHBondContact O-N 2.67Å; V166-L169 VanDerWaalsContact O-N 3.17Å; N167-L169 VanDerWaalsContact C-N 3.29Å; N167-L169 PolarHBondContact O-N 2.92Å
170A81.1Confident77Confident73 Ų73106.4 Ų106.460%0.60359%0.593SS**Hα-helixtrans-83.8-24.3-178.100000113.1V166 N167 P172V166-A170 WeakPolarHBondContact O-CB 3.3Å; V166-A170 PolarHBondContact O-N 3.23Å; N167-A170 PolarHBondContact O-N 3.38Å; A170-P172 WeakPolarHBondContact O-CD 3.39Å
171A69.9Low76.1Confident62 Ų62103.1 Ų103.151%0.51258%0.583SS.*SBendtrans-70.3106.7169.700000108.2N167 E173N167-A171 PolarHBondContact O-N 3.26Å; A171-E173 PolarHBondContact O-N 2.93Å
172P58.7Low74.9Confident115 Ų115104 Ų10475%0.74759%0.594SS**  trans-59.5139.2170.327.9-33.4000107.8A170 A174A170-P172 WeakPolarHBondContact O-CD 3.39Å; P172-A174 PolarHBondContact O-N 3.41Å
173E53.9Low73.6Confident186 Ų186108 Ų10887%0.86962%0.622SS**  trans-50.2106.8172.5-65.2-176.4158.700108.6A171 M175A171-E173 PolarHBondContact O-N 2.93Å; E173-M175 PolarHBondContact O-N 3.3Å
174A52.1Low72.1Confident95 Ų95107.4 Ų107.479%0.78563%0.627SS**  trans-8358172.500000108.7P172P172-A174 PolarHBondContact O-N 3.41Å
175M53.2Low70.3Confident150 Ų150111.2 Ų111.274%0.73964%0.638SS**  trans-152.1110.2172-65.9-64.9-88.400109.6E173E173-M175 PolarHBondContact O-N 3.3Å
176D45.5Very low68.3Low158 Ų158119.4 Ų119.485%0.84569%0.687SS**  178.7110.8112.3-85.3-11.8000109.9
177Q37.7Very low66.1Low276 Ų276125.5 Ų125.5100%1.2972%0.721SS**  trans-112.80153.7-82.2-167.2-900107.7

Retrieved 177 of 177 residues in 204.6 ms (Link to these results)

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